[gmx-users] CMAP entries for D-residues with GROMACS

[ABEL Stephane]

Dear all, 

I am interested to simulate a system with gramicidin A  that contains D-AAs (D-LEU and D-VaL)  and I am wondering if the CMAP entries in the cmap.itp file (charmm36-jul2017.ff) are used for these types of AA ? I am asking this because I see that the CHARMM force field library contains a file (toppar_all36_prot_mod_d_aminoacids.str) where the CMAP parameter seem to be redefined.

Thank you for you response. 

Stéphane