Stefano Meliga wrote:
Hello,
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.
Force field atom nomenclature is highly non-standardized, and is
specified by the force field in use. Thus, it won't match the PDB
standard, in general.
Mark
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