[gmx-users] C-terminus residue name in Gromos43a1

Francesca Vitalini francesca.vitalini11 at gmail.com
Mon Feb 24 17:15:26 CET 2014

Dear Gromacs Users,

does anybody know the residue name for the c-terminus NHMe in Gromos43a1. I
tried NAC that works for GROMOS53 but it doesn't exist in the
/gromos43a1.ff/aminoacids.rtp and there I couldn't find the correct name.
However, it seems improbable that such a standard thing is not implemented
by default.
If anyone has previously used it, could you please let me know how to
introduce it correctly in my pdb structure so that it is recognized by

So far I get this error message

Program pdb2gmx, VERSION 4.5.5
Source code file: /tmp/build/gromacs-4.5.5/src/kernel/resall.c, line: 581

Fatal error:
Residue 'NAC' not found in residue topology database
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

Thank you very much,


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