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Publication (1)
Using reference reduction potentials of quinones recently measured relative to the saturated calomel electrode (SCE) in N,N-dimethylformamide (DMF), we benchmark absolute one-electron reduction potentials computed for 345 Q/Q●− and 265 Q●−/Q2− reactions using adiabatic electron affinities computed with density functional theory and solvation energi...
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Question (1)
I want to perform MD simulation of DMF using GROMACS by following the path of pdb2gmx command. But for that pdb file of DMF is required which is not provided in default gromacs directory.
Also, how can I generate its rtp file?
