[gmx-users] using charmm force fields with gmx v3.3

dimka newyorkdimka at gmail.com
Sat Dec 24 00:37:23 CET 2005

Hello, I've downloaded charmm27 force fields (from
http://www.gromacs.org/topologies/force_fields.php) and followed
installation instructions.
When I try to generate topology and structure file I'm getting the following
using Charmm27 ff I'm getting the following error:

Opening library file /usr/gmx/share/gromacs/top/ffcharmm-n.tdb
Program pdb2gmx, VERSION 3.3
Source code file: ter_db.c, line: 85

Fatal error:
Reading Termini Database: expected 3 items of atom data in stead of 1 on
       N      NH3        14.0027    -0.3000

I spent some time trying looking at the ffcharmm-n.tdb but i cannot figure
out its format.
Can anyone point me to the description of the file format?

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