[gmx-users] atom naming needs to be considered.

neelam wafa neelam.wafa at gmail.com
Thu Mar 1 15:35:14 CET 2018


Hi!
Dear all I am running pdb2gmx command to create the protein topology but
getting this error. please guide me how to fix this problem.

WARNING: WARNING: Residue 1 named TRP of a molecule in the input file was
mapped
to an entry in the topology database, but the atom H used in
an interaction of type angle in that entry is not found in the
input file. Perhaps your atom and/or residue naming needs to be
fixed.



WARNING: WARNING: Residue 264 named ASN of a molecule in the input file was
mapped
to an entry in the topology database, but the atom O used in
an interaction of type angle in that entry is not found in the
input file. Perhaps your atom and/or residue naming needs to be
fixed.
Regards


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