[gmx-users] Difference between charmm22 and charmm27 force fields.

Dawid das addiw7 at googlemail.com
Thu Jul 3 22:30:04 CEST 2014


Dear gromacs experts,

I have a question not related directly to gromacs program.
Is there difference in parameters for protein (aminoacids) atom types
between charmm22 and charmm27? In other words, may I use parameters for
charmm22 for a new non standard aminoacid residue if I use charmm27 for all
other aminoacids?


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