[gmx-users] coordinate file for TFE

[David van der Spoel]

Dilraj Lama wrote:

>hello gmx users,
>                I want to presently do a peptide simulation in TFE+water solvent.I am using
>gromacs 3.2.1. I find that there is a topology file for TFE but no coordinate file
>in the gromacs topology file.Should I use the same topology file for TFE??? Also
>can anyone please share with me the coordinate file for TFE.
>  
>

you can easily make it yourslef using e.g. pymol and genconf. Please do 
not use the FF parameters in the gromacs file. Use a more recent 
parametrization.

>Thanks to all.
>
>Regards.
>  
>


-- 
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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