[gmx-users] Adding residue to .rtp file

Raji raji.phy at gmail.com
Thu Oct 4 17:34:08 CEST 2018

Thank you for your reply. I am trying to simulate this peptide in gromacs
with CHARMM36 force field. Thatswhy i converted the parameters from CGenFF
to CHARMM format. So How to proceed further.  I assume i cant treat it like
as a protein ligand complex, because there is covalent bond between TYR and
alkyl chain? And What is core CHARMM atom types?


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