[gmx-users] pdb2gmx
amitbehra at chemeng.iisc.ernet.in
amitbehra at chemeng.iisc.ernet.in
Fri Aug 19 16:53:16 CEST 2016
Hello users,
I am using pdb2gmx on a protein.
Fatal error:
Residue 1 named LYS of a molecule in the input file was mapped
to an entry in the topology database, but the atom N used in
that entry is not found in the input file. Perhaps your atom
and/or residue naming needs to be fixed.
ATOM 1 N LYS 8 59.565 44.696 51.226 1.00 0.00
N
0.00 H
ATOM 19 NZ LYS 8 62.201 50.111 51.767 1.00 0.00
N
These are N atoms in my LYS . Can anyone point out what the problem.
Regards,
Amit
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