[gmx-users] simulation in DMSO

prasun kumar prasun30 at gmail.com
Tue Sep 16 03:48:44 CEST 2008

dear users,

I am trying to do a simulation of protein in DMSO,but failed to run it.I am
getting error while running grompp.
I got one suggestion of modifying dmso.itp file so that it looks like
methanol.itp.That modification is related to the addition of mass and charge
of dmso
but I am not getting any clue how to do.
please help me in overcoming this problem.

thanx in advance

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