Hello dear users, I am trying to figure out how to run Replica Exchange with Solute Tempering (REST2) simulation using CHARMM 36m force filed. The only method that I found so far involves using Plumed (which would have worked for me). However, the instructions I found ( https://plumed.github.io/doc-v2.4/user-doc/html/hrex.html) explicitly say that it will not work with CHARMM cmap. Thus, I was wondering if anyone knows an alternative method of run REST2 simulations in GROMACS in general or how to solve the cmap problem mentioned in the instructions.
Thank you in advance, Aram -- 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 gmx-users-requ...@gromacs.org.
