Hello, I was able to convert my coarse grained system to all-atom using the backward script. However, it (Mapping folder) only had option for charmm36.
I have an all-atom .gro file and .top file for charmm36 but I need t run my simulations with charmm27. Doing pdb2gmx with all-tom .gro file runs into error which I believe is for mismatch in atom types between charmm36 and 27. Also,on using the command (./initram.sh -f system.gro -f system_aa.top -po backmapped.top -from martini -to charmm27) handled the protein part of the system but ran into error for POPC, but changing -from martini -to charmm36 successfully converted to all atom. Please suggest. Thanks, sxn -- 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.
