[gmx-users] SEP and HO atom type

[Luciane Vieira de Mello]

Dear all,

I am using the SEP (phosphoserine) from "ffG43ap" in the
topologies/forcefields section of gromacs.org. (mail: Graham Smith
gmx-users at gromacs.org Tue, 17 Dec 2002 19:42:29 +0000 (GMT))

Everything was going fine, till I've tried use grompp.
I got the following message:

Generated 182 of the 1128 non-bonded parameter combinations
Cleaning up temporary file gromppNL5TZe
Fatal error: Atomtype 'HO' not found!


I am not sure if I am checking the right file:
ffG43a1nb.itp
where I tried to add the HO atomtype from ffgmx2nb.itp, including the
pairtypes.

Any clue?
thanks in advance,

Luciane



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|                  Dra. Luciane Vieira de Mello Rigden                    |
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