[gmx-users] Atom H2 not found in rtp

[Tsjerk Wassenaar]

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?

Tsjerk

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
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