On 21/06/2011 2:44 AM, udaya kiran marelli wrote:
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 N
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 re
2 matches
Mail list logo
