[gmx-users] Charmm_gromacs

[Velia Minicozzi]

I think we have understood the problem...if it's not true I will write
again...

Thanks.

Velia Minicozzi

On Wed, June 11, 2008 12:12 pm, Velia Minicozzi said:
> Hi,
> I am trying to run gromacs using CHARMM force field. I downloaded
> "charmm_gromacs.tar.gz" file and I followed the instruction, that housed
> in "readme-charmmed-gromacs". I runned the command:
> pdb2gmx -ter -f <filename.pdb> -o <filename.gro> -p <filename.top>, using
> as input file the *.gro file of the example,  but the following error
> message is coming:
>
> "Program pdb2gmx, VERSION 3.3.1
> Source code file: ter_db.c, line: 85
>
> Fatal error:
> Reading Termini Database: expected 3 items of atom data in stead of 1 on
> line
>         N      NH3        14.0027    -0.3000"
>
> Thank you for reply.
>
> Velia
>
> --
>
> Velia Minicozzi, Physics Dept., University of Rome Tor Vergata
> Via della Ricerca Scientifica, 1 - 00133 Roma
> tel: +39 0672594554 - fax: +39 06 2023507
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*********************************
Velia Minicozzi
Department of Physics
University of Rome "Tor Vergata"
Via della Ricerca Scientifica, 1
00133 Rome - Italy
tel. +39 06 72594554
fax. +39 06 2023507

http://biophys.roma2.infn.it/
*********************************