- Shridhar Velhal added an answer:Is there any mathematical model possible for a suspension system which has 6-degree freedom?
please suggest or share any idea regarding this.
Mathematical model in given in following paper. It may help you
- Ferhati Azedine added an answer:How can I perform a simulation of a reaction using Gaussian?
Dear All scholars,
I want to simulate a 4 steps reaction over carbohydrates and anticancer drugs Gaussian, first of all, does the Gaussian have this ability to simulate this reaction and if so, i would appreciate anyone if he/she could give me some advises to do it?
Try to find first all the species involved in each step of your reaction then try after to locate if any TS ? Optimization frequencies......etcFollowing
- Pau Fonseca i Casas added an answer:How can I simulate an intrusion detection in an OPNET modeler?
I need some information about how I can do an IDS algorithm in an opnet modeler simulation program. Can anyone help me?
For Example: create a network contain an attacker, and victime and implementing our IDS approach
We develop an hybrid approach not using OPNET but OMNET to define in detail the behavior of users. See the paper attached. Maybe this approach could be useful for you.Following
- Adam Jerzy Duracz added an answer:What is the best TeX editor for LaTeX?Give your opinion especially on your experience whether good or bad on TeX editors like LEd, TeXMaker, TeXStudio, Notepad++, WinEdt (Paid), ....
Some quick ref.
The Eclipse extension TeXlipse supports bi-directional lookup between PDF and TeX source code and underlines errors in the code. It also allows you to edit multiple documents and/or open multiple views of the same document at the same time.Following
- Ehsan Mohseni added an answer:Has anybody used the MOVING MESH or DEFORMED MESH for a 3D model in COMSOL?
Several times I tried to use these options to generate a movement for an eddy current simple circular coil (solenoid) in comsol and every time I failed to proceed.
I was supposed to apply the moving mesh or deformed mesh to simulate the movement of coil on a fixed conductor (simple scan) in time domain (time dependent simulation) and also at same time measure the variations of coil inductance due to its movement on the conductor (a stationary frequency domain simulation), I have my models in hand, in case anyone feels like to help me on that , I will be more than happy to send my models for your comments.
Thank you for the response. Being honest I don't have the version 4.3. the oldest version that I have here is 4.4 but I'll try to download the one that be compatible with you version in coming days. Thanks for your interest to help. I'll get back to you soon.
- Closed account added an answer:Can any one help in the parameterization of ZN metal using MCPB?
I want parameterise the ZN metal, which is coordinated with CCCH (three CYS and one HIS residues) residues. I just followed MCPB tutorial. While side chain modelling i got errors and unable to fix the problem. Here, i have attached my pdb file , sidechain.bcl file and sidechain.bcl log files.
ANDDEAR RESEARCHER,I AM THE FIRST ONE TO ANSWER,HERE IS MY COMMENTS, the Protein Data Bank (PDB) contains over 18,000 structures that contain a metal ion including Na, Mg, K, Ca, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Pd, Ag, Cd, Ir, Pt, Au, and Hg. In general, carrying out classical molecular dynamics (MD) simulations of metalloproteins is a convoluted and time consuming process. Herein, we describe MCPB (Metal Center Parameter Builder), which allows one, to conveniently and rapidly incorporate metal ions using the bonded plus electrostatics model (Hoops et al., J. Am. Chem. Soc. 1991, 113, 8262-8270) into the AMBER Force Field (FF). MCPB was used to develop a Zinc FF, ZAFF, which is compatible with the existing AMBER FFs. The PDB was mined for all Zn containing structures with most being tetrahedrally bound. The most abundant primary shell ligand combinations were extracted and FFs were created. These include Zn bound to CCCC, CCCH, CCHH, CHHH, HHHH, HHHO, HHOO, HOOO, HHHD, and HHDD (O = water and the remaining are 1 letter amino acid codes). Bond and angle force constants and RESP charges were obtained from B3LYP/6-31G* calculations of model structures from the various primary shell combinations. MCPB and ZAFF can be used to create FFs for MD simulations of metalloproteins to study enzyme catalysis, drug design and metalloprotein crystal refinement.
PMID: 20856692 [PubMed] PMCID: PMC2941202 Free PMC Article
Share on FacebookShare on TwitterFollowing
- Manoj K Poudel added an answer:Is self-citation good for showing the continuity of the research and avoiding self plagiarism? Please share your experience and thought.Self citation can help paper reviewers to check on the history of the author(s) and research topics.
Any comment or opinion are welcome.
1. Nothing is good or bad, thinking (of readers and judges) makes it so!
2. Nothing is good or bad, intention (of the author and co-authors) makes it so!Following
- Jean-Michel Bergheau added an answer:Which simulation tool can be used to simulate diffusion of nitrogen into the metal during nitriding?Simulation
You can check the capabilities of the Finite Element software SYSWELD. I think you could be interested with the following papers :
J M Bergheau, J Devaux, P Duranton, R Fortunier, M Larreur, J B Leblond, « Numerical simulation of superficial diffusion and precipitation of chemical elements, with application to some nitriding process », Surface Treatment VI, edited by C.A. Brebbia, J.T.M. de Hosson, S.I. Nishida, ISBN 1-85312-962-3, 2003, pp. 297-306.
E. Feulvarch, J.M. Bergheau, J.B. Leblond, « An implicit finite element algorithm for the simulation of diffusion with phase changes in solids”, International Journal for Numerical Methods in Engineering, n° 78, 2009, pp. 1492-1512.Following
- Paul Krot added an answer:Multiscale modeling of steel microstructureMy questions for discussion are as following.
1) There are a lot of publications on multiscale modeling of steel microstructure using standard FEM, special FEM, molecular dynamics methods (discrete elements, moving cellular automata) with quite nice images of simulations. How to varify results of simulations in grains boundary deformations and strains, grains growth and fragmentation as we will never have exactly the same pictures under microscope, moreover 2D instead of 3D. What criteria of microstructure models correctness? I think only statistical parameters of grains distribution (before and after deformation) can help in validation. Is any other opinions?
2) There are several methods to produce ultra-fine grained (UFG) metals (ferrous and non-ferrous) with grains less than 1 micron by the severe plastic deformation (SPD) (ECAE(P), HPT, ARB, asymm. rolling-AR). Is anybody here who has a deal with steel microstructure multiscale simulation in SPD processes?
Thanks, Pardis. Happy New yearFollowing
- Scott Lett added an answer:Does the Smith, Hucka et al method for hierarchical model composition uses many features of previous modeling methods?
In 2003, in U.S. Patent Application 20030009099, Lett et al disclosed a component-based design pattern that facilitates hierarchical model building and model sharing. In 2009, the Randhawa, Shaffer & Tyson article in Bioinformatics used a very similar approach. While the authors acknowledged that some commercial applications implemented hierarchical composition of model components, they did not know of the public disclosure in application 20030009099. I'm curious if the authors of Smith, Hucka, Hoops et al might comment on similarities and differences between the approaches?
Randhawa R, Shaffer CA, Tyson JJ. Model aggregation: a building-block approach to creating large macromolecular regulatory networks. Bioinformatics 2009;25(24):3289-3295. doi:10.1093/bioinformatics/btp581.
Thank you, Tarik.
I am a big fan of the COMBINE effort, and proud to have collaborated with many pioneers in this field for over a decade. It is gratifying to see so much momentum. While I am not active in this area now, I retain an intellectual interest, and hope to keep up with what's new, and selfishly curious if any of our contributions were of lasting value. Wishing continued success,
- Yuemin Hou added an answer:Are there methods (and tools) that can be used equally well for modeling the architecture/operations of HW, SW and CW constituents of complex systems?
Integral and uniform modeling of hardware (both analog and digital), software (both system and application), and cyberware (knowledge structures, ontology contents, and data structures) of complex systems in the pre-embodiment and embodiment phases of development seems to be a challenge. Finding methods and tools, which cover each of the three domains, is difficult in the literature. Please advise if any trans-disciplinary method exist for architectural and operational, or possibly for a hybrid modeling, of complex systems.
The key is to model behaviours.Following
- Closed account added an answer:Using Real Time simulation in the case of off-line simulations has no problem to solve equations, could be an advantage to enrich research or no? Why?
I have applied a new application on excitation of a generator. The simulation is carried out on Matlab environment. But the question is: regarding to the application is applied within excitation system ( it means the applied controller is local and destination factor is not a concern.) using Real Time simulation could be an advantage to enrich research or no?
Thanks for your useful commentsFollowing
- Rick Vleugels added an answer:Does anyone know about a computational method to calculate if a molecule would form H-aggregates of J-aggregates?
I have done some measurements on a small, rod-like, rigid molecule and I'm thinking the molecule switches over time from h-aggregates to j-aggregates. I was wondering if there are some computational methods to confirm this?
Thank you! The article looks very interesting. I'll look into it.Following
- Ab Ka added an answer:Could it be possible implementing the fitness function of GA code in matlab to work with simulation rather than equations?
I chose the GA for optimization by writing the program using ga code in matlab. This program is ok if I put the terms of fitness function as equations; for example:
When I run the program the ga graphs and results is fine, and par=10.
However, when I put these equations as a model in simulation, the ga graphs (best value) is constant (line) which is incorrect.
My issue is that I need to import y1 from the simulation and y2 from data results to estimate par.
Really I got stuck in this point which is how can I use ga with simulation.
Moreover, I can share the knowledge with who is interested in.
The program is more better now but it is still struggling to use k1 and k2 in the Objective Fcn while these parameters (k1 and k2) in a simulation model.
If it is implemented via equation, it is working perfectly. However, with simulation is NOT.
I do not know if there is any one use GA in simulation. It looks stranger, but physically it can be performed.Following
- Jinlong Li added an answer:How to make an interface between Matlab/simulink 7.9 and PSCAD X4?I am trying to make an interface between matlab/simulink 7.9 and PSCAD X4, but all user’s manuals for PSCAD from Manitoba describes how to make that interface with older versions of matlab and PSCAD. Does anybody made any interface between these versions and had any success in it?
My answer to the question is presient in the attachmentFollowing
- Do Toan added an answer:Does anyone use COMSOL Multiphysics for simulation?Is anyone working in this area - Electromagnetism, Heat transfer and CFD.
Does anyone use COMSOL for the simulation of Plasma Electrolytic Oxidation?Following
- Garry Riviere added an answer:How can I deal with staggered grid boundary conditions?
I'm using a semi-implicit code and I don't know how to deal with boundary conditions of staggered grids at the implicit part of the code. There is some book that can help me?
You can find boundary conditions implementation in An introduction to computational fluid dynamics. The finite volume method. H. K. VERSTEEG and W. MALALASEKERA.Following
- Adebayo Akanbi Oladapo added an answer:Can I modify receiver section of SAC-OCDMA by using MATLAB?
I need a proposed work research. Kindly suggest the relevant work further.
Sorry, I have no idea; this is not in my area of expertiseFollowing
- Simon Schröder added an answer:Which computer language (C, Fortran, Visual basic) is faster in the CFD using FEM? Do any of them work with VBE?I'm working on a CFD project using FEM, the time elapsed for every run is high to get results. Now I'm using MATLAB but I want to change coding language. Which program do you suggest?
@Paul: I recently had an advanced Fortran course held by a member of the standardization committee. I also used to say "use modern Fortran". But, what he taught us it that many modern features in Fortran (post Fortran 95) only kill performance. He advised us to never use these unless in performance-uncritical code. Maybe numerics is an afterthought in C and C++, but object oriented programming (OOP) is an afterthought in Fortran. As it turns out OOP does not play well with Fortran, whereas numerics can play well with C++. Although matrices are not built into C++ as in Fortran, there are good libraries which prevent you from writing loops. Some of these libraries even do optimizations that the compiler cannot do, e.g. avoiding temporaries and avoiding additional loops when chaining mathematical operations. This goes far beyond a simple DAXPY. With the same simple syntax that you have in Fortran you can have optimizations which are not possible in Fortran. The approach of C++ is not to cram everything into the language, but instead use libraries wherever there is no performance penalty because of this approach. In C++ language syntax cannot make matrices more efficient than they already are with libraries.
Finally, it is the algorithms and the data structures that decide over performance the most and not just the language. I agree that C++ is harder to master than Fortran, and you can make many stupid mistakes which screw up performance. Using existing libraries will prevent you from making most of these mistakes. Since the algorithms are most important, you should use the language you know best. This will result in the best performing code that you can write.
PS: Fortran sometimes prevents you from using good algorithms because you have to reinvent the wheel and implement the algorithm yourself. Often people will then choose algorithms with worse complexity classes because they are easier to implement. To give an example of this see this Youtube video about Python vs. Fortran:Following
- Naveen Kumar Boiroju added an answer:How to approximate the cdf of t-distribution efficiently?Approximation of t distribution is essential for finding the p-value in a computer program (while testing the hypothesis about the means). Is it enough to have three decimal point accuracy of the approximation? How many decimals should be correctly approximated by a function? Finally, how to approximate the cdf of t-distribution efficiently? Please suggest some thoughts on the same. Thank you.
Thank you WilsonFollowing
- Ivana Oleksakova added an answer:I am looking for software for simulation of wind for Mac OS.I am looking for software for wind simulation for Mac OS. I use Ansys but I heard that there is no version for Mac. Is there any other software that you are satisfied with using? Is there a free version for students?
Thanks..I am already learning to work in OpenFOAM... but I will check Comsol as well :)Following
- Boris M. Vulović added an answer:Empirical Tight-Binding Method vs. Empirical Pseudopotentials Method: Pros and cons?In your experience which one is better in terms of ease of programming and computational efficiency: TBM or EPM?
Thank you gentlemen.Following
- Rivalino Matias Jr. added an answer:Which tools do you recommend for visual presentation (animation) of process scheduling in an operating system course?Which tools do you recommend for visual presentation (animation) of process scheduling in an operating system course?Following
- Ulrich Welling added an answer:Can anyone help me to find out the polarizable forcefiled for single gold atom in water?
I need to run an atomistic molecular dynamics simulation of a system in which some neutral gold atoms are randomly distributed in water box. I need to see how the gold atoms behave in water with time. But for running the simulation I need correct polarizable forcefield for gold atoms in water. There are some papers in which forcefields of various types of gold surface are present, but not for single gold atoms. Can anybody provide me any clue about the polarizable forcefield of single gold atom in water?
Wouldn't singular gold atoms react with the water to form some hydrated Au + or Au 2+ ions?
I guess if you do gold (nano) particles in water that potential for gold surfaces is already quite good.Following
- Alaa Alwaisy Alwaisy added an answer:Is there any one who worked or working on LIBSVM??
In fact, I downloaded it and I face a problem with the output of the ([label_vector, instance_matrix] = libsvmread('../data');)
It gives me usually as empty matrix, and I usually get the same error. although the input matrix for the libsvmwrite a sparse matrix(double).Please,could you help me as faster as you can.
I'm working on matlab with windows 7, and I'm working on multi classification problem.
Thank you in advance.
Thank you for your answers on my question,
Dear Falak Shah, I did what you said but my problem is not with compilation, my problem is that the output arrays from the ([label_vector, instance_matrix] = libsvmread('../data');) , usually an empty arrays without values
thanks for allFollowing
- Magnus Eriksson added an answer:Can anyone help with simulating WSN routing protocols?Does anybody know if the RMASE (Routing Modeling Application Simulation Environment) application for PROWLER simulator is still available anywhere for download? As far as I can tell there seems to be no official site or download links available anywhere.
You can download both Prowler for Matlab, and the Java based Jprowler version, from this link http://www.isis.vanderbilt.edu/projects/nest/prowler .
See also this 2003 paper: http://www.isis.vanderbilt.edu/sites/default/files/Simon_G_3_8_2003_Simulation.pdf
RMASE is in application to PROWLER dedicated for routing protocols. Until recently it has been available for download from this link http://www2.parc.com/isl/groups/era/nest/Rmase/download.htm, but I don’t find it right now. Previously it said that before downloading, you need to ask permission by the developers of this software. (RMASE is described in this 2006 paper: http://www.dcs.uni-pannon.hu/~simon/publications/INSS_2006_paper.pdf )
Here you find a 2013 Master thesis where a student of mine (Sidra Muneer) used Prowler to analyze an own routing protocol based on our cooperative-diversity algorithms:
- Corey Allen Moffet added an answer:Simulation models or submodels combining plant/vegetation growth with herbivore grazingI am still looking for simulation models or submodels that combine plant/vegetation growth with herbivore grazing on these plants. I aim at using it for an MSc course on the use of models in ecology.
You might want to look at the SPUR (Simulation of Production and Utilization of Rangelands) model that was developed by the USDA-ARS.Following
- Ovidiu Borchin added an answer:What may have in common the elementary particles physics with hydrodynamics, differential geometry and our knowledge?The answer is simple - a model
You're right; the solution is based on the differential geometry.Following
- Viktor Vojtko added an answer:Churn problem analysis, modelling and simulation for Mobile Telecommunications?Any successful case studies or System Dynamics simulation models (or alternative modelling approaches) to support Telecom operators, in order to manage customer behaviour and control attrition rate (churning) in mobile telephony market?
I am not sure whether it's still relevant but I was involved in several projects focused on these topics in the Czech Republic for main telco operators. It was mainly used for understanding the churn after introduction of phone number transfer availability.
About Simulation and Modeling
The focus of this group are the methods and tools for modeling and simulation.