lindahl at stanford.edu
Wed Jul 23 23:00:00 CEST 2003
ACE and NAC are already termini, so instead of having pdb2gmx add
NH3/COO- termini you should choose interactive selection and then
'none' both for the C and N terminus.
On Wednesday, July 23, 2003, at 01:48 PM, Milan Melichercik wrote:
> hi all,
> I have the protein, wthich begins with ACE and ends with NAC "aminoacid
> residue" and I'm trying to convert it into .gro by pdb2gmx. But pdb2gmx
> complains with this error message:
> "Fatal error: atom N not found in residue 1ACE while combining tdb and
> What am I doing wrong?
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