Dear GROMACS users, I have generated a 4*4*4 octahedral DMSO box containing 64 molecules (Charmm all-atom force field) which need to be NVT equilibrated in order to pass it for usage in genbox. Could one of you provide info on how to do the NVT and periodic boundary equilibration to remove the residual ordering of the solvent?
Thanking you in advance yours sincerely, Uday.
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