X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Funres.f90;h=12368afea108b761ce882aac5adb8c153de38910;hb=a5189f6bb38b0708d043a694919b39f8f4a820a6;hp=3fad3c4e7af3ff0c54fd962e05db187d3f7bd377;hpb=705644e0cbb7678faefd6fe1bc436159d38ad85d;p=unres4.git diff --git a/source/unres/unres.f90 b/source/unres/unres.f90 index 3fad3c4..12368af 100644 --- a/source/unres/unres.f90 +++ b/source/unres/unres.f90 @@ -165,9 +165,9 @@ print *,'Start MD' call alloc_MD_arrays print *,'After MD alloc' -! if (me.eq.king .or. .not. out1file) & -! write (iout,*) "Calling chainbuild" -! call chainbuild + if (me.eq.king .or. .not. out1file) & + write (iout,*) "Calling chainbuild" + call chainbuild call MD return end subroutine exec_MD @@ -195,7 +195,7 @@ ! write (iout,*) "Calling chainbuild" ! call chainbuild if (me.eq.king .or. .not. out1file) & - write (iout,*) "Calling REMD" + write (iout,*) "Calling REMD",remd_mlist,nrep if (remd_mlist) then call MREMD else