Fwd: [gmx-users] D-form amino acids
christoph.freudenberger at chemie.uni-ulm.de
Fri May 30 07:56:02 CEST 2003
Regina R. Monaco, Ph.D. wrote:
> Hi Daan-
> Well, **I** am not worried, but GROMACS won't accept the
> calculation. I am assuming the reason is that the program is not
> certain what the atom types are, what charges to use, and how to index
> the molecule. At least, thats what the error messages indicate :>
Sound more like somethings wrong with the topology rather then
the 'UNK' residues.
Please post the error message and a few lines of the coordinate file.
Abt. Organische Chemie I AK Siehl - Uni Ulm -Tel: ++49-731-502-2785
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