[gmx-users] pdb atom nomenclature
smeliga at gmail.com
Wed Jul 8 14:12:42 CEST 2009
I used editconf to produce a pdb out of a gro file and I noticed that
there are 3 atoms names that do not match with the pdb nomenclature:
they are O1 and O2 for the last aminoacid of the chain and CD of ILE
A pdb file has respectively O, OXT in the end of the chain and CD1 for ILE.
I was wondering if you should consider it for next GROMACS release.
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