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Can any one suggest how to predict vanderwal's forces after docking ligand and enzymes in Molegro Virtual Docker 2010 software????

what should be the length of ligand for docking with class II HLA molecules in molecular virtual docker. I am facing difficulty in docking with ligand having more 10 amino acids.

can I perform class II HLA docking with 9-mer ligand ?

I have created a docker and pulled some images in docker hub ,.. i need to known if i can create my own image and put it in a container ?

I’m trying to run an MD but on the NVT run, it returns me a segmentation fault (/gromacs/bin/gmx: line 17: 1052286 Segmentation fault (core dumped) /gromacs/bin. ARCH/gmxmpi @)

Moreover, it seems my box is not centering on the protein and is in cubic shape, even though I defined the box type to be a dodecahedron.

I would appreciate any insight into what could be causing this problem. I can provide any additional information (pdb file, mdp options, topology files, gmx command line inputs) as needed.

Vicente Pires

Actually I developed a gui app using tkinter(Python). But can't display tkinter gui from within docker.

Did someone has this problem before ? How can I fix it ?

Please suggest me some useful links.

Hi

Anyone tried or have some reference on how to create Docker Container from Simulink ?

Thanks in Advance.

MATLAB reference on creating Docker Container from MATLAB function :

We are trying to use Assemble2 for RNA tertiary structure analysis. But the error message appears: Docker image missing/ Your need to install the Docker image fjossinet/assemble2. Although we have installed both.

Thus, anyone have the same problem?

Kind Regards,

Eva Pinho, PhD

So, around january last year I got back to using Concerto platform, but apparently now installation isn`t recommending using AWS. So I went through this very small tutorial until the end, but when doing the last part, going to http://localhost/admin , nothing happens. That's because the tutorial looks kind of incomplete. I'm missing the steps between 5 and login in

Another point that I don't get it... is AWS still needed? The new tutorial is really small and shallow for whoever isn't familiar with the extra hidden steps...

I want to perform docking for a set of compounds using c-docker. I prepared protein and ligands. I made running for c-docker but the result was zero. There is something wrong, but I do not know what it is?

GROMACS version: GROMACS modification: Yes/No Here post your question I use the gromacs with the oficial docker image (https://hub.docker.com/r/gromacs/gromacs) and the mdrun of the main simulation returns this: /gromacs/bin/gmx: line 17: 1345054 Segmentation fault (core dumped) /gromacs/bin. ARCH/gmxmpi @ I would like to know if it is any mistake of mine and how to fix this. Att. Vicente Pires.