[gmx-users] How to add DMSO as solvent?

Yun Shi yunshi09 at gmail.com
Wed Jun 6 00:03:28 CEST 2012

Hello all,

Assuming that I made my own .itp file for amber99sb-compatible DMSO
parameters (based on Thomas Fox and Peter A. Kollman. J. Phys. Chem. B.,
1998, 102, 8070-8079) and included that in the .top file, how can I add
DMSO to my system? Should I also make a .gro file in analogy to spc216.gro?
But how?

Thanks for any suggestion,
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