[gmx-users] Atom H2 not found in rtp

Tsjerk Wassenaar tsjerkw at gmail.com
Thu Feb 26 08:34:11 CET 2009

Hi Varsha,

What force field did you use? What atoms are listed for residue 'BEN'
in that force field? What atoms are listed for residue 'BEN' in the
.pdb file?


On Thu, Feb 26, 2009 at 5:41 AM, varsha gautham
<varsha.gautham88 at gmail.com> wrote:
> Hello, gmx-users,
>                i used command"pdb2gmx -f a.pdb -ignh" but i got error like:
> Fatal error:
> Atom H2 not found in rtp database in residue BEN
> -------------------------------------------------------
> there are no H2 atom in my file. why? my version is gromacs3.3.3
> -varsha
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623

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