reference previous mail thread : https://www.mail-archive.com/gromacs.org_gmx-users%40maillist.sys.kth.se/msg18799.html
Dear Justin, Thanks ,so i have to define restrain for individual molecules.in that case how should i define *mdp file ,since eight restrains are there for each ring A,B,C,D,E,F,G,H . in mpd define = -DPOSRES what name i will give here, topology looks like #include "toppar/PROA.itp" #ifdef POSRES_PROTA #include "posre_cpn.itp" #endif #include "toppar/PROB.itp" #ifdef POSRES_PROTB #include "posre_cpn.itp" #endif #include "toppar/PROC.itp" #ifdef POSRES_PROTC #include "posre_cpn.itp" #endif #include "toppar/PROD.itp" #ifdef POSRES_PROTD #include "posre_cpn.itp" #endif #include "toppar/PROE.itp" #ifdef POSRES_PROTE #include "posre_cpn.itp" #endif #include "toppar/PROF.itp" #ifdef POSRES_PROTF #include "posre_cpn.itp" #endif #include "toppar/PROG.itp" #ifdef POSRES_PROTG #include "posre_cpn.itp" #endif #include "toppar/PROH.itp" -- Ragards, Nikhil Maroli -- 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.
