[gmx-users] simulation in DMSO
prasun30 at gmail.com
Tue Sep 16 03:48:44 CEST 2008
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
but I am not getting any clue how to do.
please help me in overcoming this problem.
thanx in advance
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users