[gmx-users] DMSO-protein simulation

prasun kumar prasun30 at gmail.com
Sun Sep 21 07:52:52 CEST 2008

Dear Users,

I am trying to do a DMSO-protein simulation.As I have posted this query
earlier also and got one suggestion of adding atomtypes section in dmso.itp
file that is not present in it.The problem I am facing here is:

 how to calculate c6 & c12 coloumn for DMSO
thanx in advance

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