X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Funres.F;h=83d9588be7746504cf078e58d7e7976b0fc7147d;hb=510ce03973817e73889844d792468385332d09f3;hp=b1ddb28e309627732103a9338cf5b0764f240b71;hpb=af72f8e89a5d33f0d86ba898d6c5bbbda4b25b84;p=unres.git diff --git a/source/unres/src_MD-M/unres.F b/source/unres/src_MD-M/unres.F index b1ddb28..83d9588 100644 --- a/source/unres/src_MD-M/unres.F +++ b/source/unres/src_MD-M/unres.F @@ -56,7 +56,6 @@ c call memmon_print_usage() if (me.eq.king) call cinfo C Read force field parameters and job setup data call readrtns - call flush(iout) C if (me.eq.king .or. .not. out1file) then write (iout,'(2a/)') @@ -137,9 +136,15 @@ c-------------------------------------------------------------------------- include 'COMMON.SETUP' include 'COMMON.CONTROL' include 'COMMON.IOUNITS' - if (me.eq.king .or. .not. out1file) - & write (iout,*) "Calling chainbuild" +c if (me.eq.king .or. .not. out1file) then +c write (iout,*) "Calling chainbuild" +c call flush(iout) +c endif call chainbuild +c if (me.eq.king .or. .not. out1file) then +c write (iout,*) "Calling MD" +c call flush(iout) +c endif call MD return end @@ -734,6 +739,8 @@ c enddo print *,'icheckgrad=',icheckgrad goto (10,20,30) icheckgrad 10 call check_ecartint + write(iout,*) "kupadupa" + call check_ecartint return 20 call check_cartgrad return