[gmx-users] dmso

[Justin A. Lemkul]

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.

-Justin

> Thank you for your time
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-- 
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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