Hi, I am interested in incorporating a nitroxide spin label into my protein simulation. I want to use the Charmm36 force field, and to my knowledge there is no force field for the MTSL spin label in charmm36 for gromacs. What I do have is a charmm22 force field of the MSTL label from NAMD. Is there a way to incorporate this NAMD force field into my gromacs simulations.
Best Wishes, Ali Khan -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
