[gmx-users] NVT equilibration of DMSO solvent (Charmm all-atom force field)

[udaya kiran marelli]

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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