[gmx-users] DMSO w/ GROMOS96

[David van der Spoel]

On Mon, 2005-01-17 at 14:26 -0600, Attila Borics wrote:
> Hello,
> 
> I'm planning to run a couple of simulations in DMSO.
> For that I'd like to use the GROMOS96 force field.
> I saw that the /top directory (v 3.1.4) contains an .itp file with gmx
> force field parameters. Are there any available parameters for GROMOS96
> as well? Could anyone please give me some instructions how should I
> proceed?
First upgrade to 3.2.1 as it has newer gromacs force fields including
dmso parameters.
> 
> Thank You
> 
> Attila Borics
> 
>  
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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