[gmx-users] TFE .gro files

[David van der Spoel]

Copps, Jeffrey wrote:
> 
>      Hello all,
> 
>      Does anyone have TFE (trifluoroethanol) .gro files that they might 
> be willing to share?  Or, barring that, can anyone tell me how to create 
> a solvent .gro file?
> 
>      Much thanks,
> 
>      Jeff Copps
> 
> 
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how about the united atom one in the share/gromacs/top directory?
otherwise, use prodrg followed by genconf and pressure coupled MD.

-- 
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://folding.bmc.uu.se
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