CHARMM atom naming in g_helix
Similar to bug #788, the naming of amide protons in the CHARMM force field (HN instead of H) causes g_helix to erroneously fail, as reported on the mailing list.
Mark's fix for #788 works fine for g_hbond, but wouldn't it make sense to standardize nomenclature of these atoms at the .rtp level, as well?
#3 Updated by Mark Abraham almost 5 years ago
- Assignee set to Mark Abraham
- Target version set to 4.5.6
Standardizing amide H nomenclature within GROMACS would mean coordinate file incompatibility with CHARMM and CHARMM implementations, so generates about as many problems as it might solve. Fix uploaded to gerrit. I don't have a test case - testing would be welcome.