[gmx-users] dmso

Justin A. Lemkul jalemkul at vt.edu
Sat Oct 4 18:01:31 CEST 2008

Sang-Min Park wrote:
> Hello everybody,
> I would like to know about some references concerning the paramters in 
> the dmso.itp file.

They appear to be from Gromos96 43a1 (by checking the ffG43a1.rtp and 
ffG43a1bon.itp files); the reference for which is the Gromos manual. 
Unfortunately, this is not freely available.

A re-parameterization of DMSO for the Gromos96 53a6 parameter set is published 
in Geerke, et al. (2004) J Phys Chem B 108: 1436-1445.


> Thank you for your time
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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