[gmx-users] CMAP missing for a new residue.

[Dawid das]

Dear Gromacs Experts,

I am working with fluorescent protein, posesing a chromophore which I
defined as a non-standard " amino-acid residue". Now, I want to use
Charmm22 force field and the issue is that I am missing CMAP parameters and
these are not available in the literature.

My question is, whether there is a way to use CMAP parameters only for
connection between standard a.a. and omit them for connection between my
chromophore and standard a.a.?

Best wishes,

Dawid Grabarek