[gmx-users] Parameter preparation of non-standard amino acid

Mijiddorj B b.mijiddorj at gmail.com
Tue Oct 1 07:21:52 CEST 2019


Dear GMX users,

I would like to simulate short peptide aggregation. The peptide contains
pyrene moieties instead of phenyl group of phenylalanine. How can I prepare
the parameter for the residue?

Can I also use CgenFF for the short peptide?

Best regards,


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