diff --git a/patches/gromacs-5.1.2.diff/src/programs/mdrun/md.cpp b/patches/gromacs-5.1.2.diff/src/programs/mdrun/md.cpp index 7af01c2a57fc05aea99fb6c7a5bfa41b91773283..430c006c8e6bcf97c73372eddc53f349d8d64922 100644 --- a/patches/gromacs-5.1.2.diff/src/programs/mdrun/md.cpp +++ b/patches/gromacs-5.1.2.diff/src/programs/mdrun/md.cpp @@ -1096,7 +1096,8 @@ double do_md(FILE *fplog, t_commrec *cr, int nfile, const t_filenm fnm[], GMX_FORCE_VIRIAL | GMX_FORCE_ENERGY | GMX_FORCE_DHDL | - GMX_FORCE_NS); + GMX_FORCE_NS | + ( ( fr->bTwinRange && do_per_step(step, ir->nstcalclr) ) ? GMX_FORCE_DO_LR :0) ); plumed_cmd(plumedmain,"GREX cacheLocalUSwap",&hrex_enerd->term[F_EPOT]); sfree(hrex_enerd);