diff --git a/patches/amber14.diff/AmberTools/src/sander/runmd.F90 b/patches/amber14.diff/AmberTools/src/sander/runmd.F90 index 04db2f2fb72dd3c588201cb70866340723cacdd9..7b0a1397240178127976fcce2d68a44f2c6999c3 100644 --- a/patches/amber14.diff/AmberTools/src/sander/runmd.F90 +++ b/patches/amber14.diff/AmberTools/src/sander/runmd.F90 @@ -4165,7 +4165,7 @@ subroutine runmd(xx,ix,ih,ipairs,x,winv,amass,f, & return ! lam81 end if ! lam81 - if (plumed_stopflag/=0) goto 480 + if (plumed.eq.1 .and. plumed_stopflag/=0) goto 480 if (nstep < nstlim) goto 260 480 continue @@ -4378,7 +4378,9 @@ subroutine runmd(xx,ix,ih,ipairs,x,winv,amass,f, & REQUIRE( ier == 0 ) end if - call plumed_f_gfinalize() + if (plumed.eq.1) then + call plumed_f_gfinalize() + end if 500 format(/,' NMR restraints on final step:'/) 540 format(/5x,' A V E R A G E S O V E R ',i7,' S T E P S',/)