[gmx-users] position restrain energy

[Nikhil Maroli]

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