[gmx-users] dmso solvent with opls

Lars Schaefer Lars.Schaefer at mpi-bpc.mpg.de
Tue May 18 18:27:11 CEST 2004

Hi all,

I want to run a simulation using the opls FF for my solute and dmso as 
the solvent. However, I only found the files dmso.itp and dmso.gro, 
which are obviously designed for the ffgmx FFs (?), because the atom 
types and so on in these files are not present in ffopls.atp.

So is there a predefined topology for dmso as a solvent in combination 
w/ the opls FF?

Cheers & thanks, Lars    

Lars Schaefer
MPI fuer biophysikalische Chemie
Theoretische und computergestuetzte Biophysik

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