[gmx-users] pdb atom nomenclature

Stefano Meliga 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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