[gmx-users] coordinate file for TFE

David van der Spoel spoel at xray.bmc.uu.se
Sun Jan 8 21:03:10 CET 2006

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 

>Thanks to all.

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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