Re: TopoTools for tpr file

From: Axel Kohlmeyer (
Date: Fri Sep 09 2011 - 10:44:42 CDT

dear hasan,

On Fri, Sep 9, 2011 at 10:01 AM, Hasan haska <> wrote:
> Dear NAMD users,
> I loaded my .psf and then loaded .pdb file into psf  in VMD then used the
> command “ topo writegmxtop” in tk console. I finally generated a
> .top file successfully. But how can I generate a gromacs tpr file using this

you are on the wrong mailing list for that. this kind of question you
should post to the gromacs users mailing list. thanks.

> .top file ? Can you please give me the information about generating tpr file

you need to use grompp. details are in the gromacs documentation.
please note the disclaimer, that this is a fake .top file that has limited
use, except for running (some) gromacs analysis tools.


> ?
> Thanks a lot for your help.

Dr. Axel Kohlmeyer
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.

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