X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Freadrtns_CSA.F;h=0b08ab72add7ed7b07f7a6f9772b5492f386ea39;hb=0b9ce12f1a05d752c261b28ea7dbc3eb7dbda58f;hp=e89d8ce2b1d76c2dbee26e961ee4168eabedff19;hpb=c6335222f02abf32e0cc697ec8a4666c754655b9;p=unres.git diff --git a/source/unres/src_MD-M/readrtns_CSA.F b/source/unres/src_MD-M/readrtns_CSA.F index e89d8ce..0b08ab7 100644 --- a/source/unres/src_MD-M/readrtns_CSA.F +++ b/source/unres/src_MD-M/readrtns_CSA.F @@ -722,9 +722,11 @@ C 12/1/95 Added weight for the multi-body term WCORR 33 write (iout,'(a)') 'Error opening PDB file.' stop 34 continue -c print *,'Begin reading pdb data' +c write (iout,*) 'Begin reading pdb data' +c call flush(iout) call readpdb -c print *,'Finished reading pdb data' +c write (iout,*) 'Finished reading pdb data' +c call flush(iout) if(me.eq.king.or..not.out1file) & write (iout,'(a,i3,a,i3)')'nsup=',nsup, & ' nstart_sup=',nstart_sup @@ -1036,18 +1038,7 @@ C initial geometry. 40 continue endif #else - do itrial=1,100 - itmp=1 - call gen_rand_conf(itmp,*30) - goto 40 - 30 write (iout,*) 'Failed to generate random conformation', - & ', itrial=',itrial - write (*,*) 'Failed to generate random conformation', - & ', itrial=',itrial - enddo - write (iout,'(a,i3,a)') 'Processor:',me, - & ' error in generating random conformation.' - write (*,'(a,i3,a)') 'Processor:',me, + write (*,'(a)') & ' error in generating random conformation.' stop 40 continue @@ -2036,7 +2027,7 @@ c print *,"Processor",myrank," fg_rank",fg_rank mol2name=prefix(:lenpre)//'_'//pot(:lenpot)//'.mol2' statname=prefix(:lenpre)//'_'//pot(:lenpot)//'.stat' if (lentmp.gt.0) - & call copy_to_tmp(pref_orig(:ile(pref_orig))//'_'//pot(:lenpot)// + & call copy_to_tmp(pref_orig(:ilen(pref_orig))//'_'//pot(:lenpot) & //'.stat') rest2name=prefix(:ilen(prefix))//'.rst' if(usampl) then