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

ABEL Stephane Stephane.ABEL at cea.fr
Fri Mar 2 16:50:32 CET 2018

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. 


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