[gmx-users] x2top - is it just me?

David van der Spoel spoel at xray.bmc.uu.se
Sat Jan 26 19:00:39 CET 2002

On Sat, 26 Jan 2002, Eviatar Tron wrote:

>I also tried PRODRG, which is actually what created the wedge.gro
>file, but it didnt read the 12wedge.gro file
If you ran prodrg, you probably have a top file from there (or can get it
anyway). If you have twelve independent molecules you only have to add at
the bottom of the topology:

mymol 12

For the format of the .top file I would like to refer you to the printed

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

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