X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD%2Freadrtns.F;h=38c79ccff38719c296501e2bd94f9ae649f9cd62;hb=bf8b3ab324569ca7ae7bb9045ad9358f6826a150;hp=b861fdb35f4c3c32af71ecb9cf79ede974399055;hpb=a6e6af07574daa32261a30956c0f5b1c42d317fd;p=unres.git diff --git a/source/unres/src_MD/readrtns.F b/source/unres/src_MD/readrtns.F index b861fdb..38c79cc 100644 --- a/source/unres/src_MD/readrtns.F +++ b/source/unres/src_MD/readrtns.F @@ -972,9 +972,9 @@ c print *,nres c print '(20i4)',(itype(i),i=1,nres) do i=1,nres #ifdef PROCOR - if (itype(i).eq.21 .or. itype(i+1).eq.21) then + if (itype(i).eq.ntyp1 .or. itype(i+1).eq.ntyp1) then #else - if (itype(i).eq.21) then + if (itype(i).eq.ntyp1) then #endif itel(i)=0 #ifdef PROCOR @@ -1037,8 +1037,8 @@ C 8/13/98 Set limits to generating the dihedral angles #endif nct=nres cd print *,'NNT=',NNT,' NCT=',NCT - if (itype(1).eq.21) nnt=2 - if (itype(nres).eq.21) nct=nct-1 + if (itype(1).eq.ntyp1) nnt=2 + if (itype(nres).eq.ntyp1) nct=nct-1 if (pdbref) then if(me.eq.king.or..not.out1file) & write (iout,'(a,i3)') 'nsup=',nsup @@ -1952,7 +1952,12 @@ c---------------------------------------------------------------------------- do i=1,dim tablica(i)=default enddo +#ifdef G77 + aux=lancuch(:ilen(lancuch))//"=" + iread=index(rekord,aux) +#else iread=index(rekord,lancuch(:ilen(lancuch))//"=") +#endif if (iread.eq.0) return iread=iread+ilen(lancuch)+1 read (rekord(iread:),*,end=10,err=10) (tablica(i),i=1,dim) @@ -1970,7 +1975,12 @@ c---------------------------------------------------------------------------- do i=1,dim tablica(i)=default enddo +#ifdef G77 + aux=lancuch(:ilen(lancuch))//"=" + iread=index(rekord,aux) +#else iread=index(rekord,lancuch(:ilen(lancuch))//"=") +#endif if (iread.eq.0) return iread=iread+ilen(lancuch)+1 read (rekord(iread:),*,end=10,err=10) (tablica(i),i=1,dim) @@ -2611,12 +2621,14 @@ c------------------------------------------------------------------------------ include "DIMENSIONS" include "COMMON.IOUNITS" character*(*) source + character* 256 tmpfile integer ilen external ilen + tmpfile=source(:ilen(source)) write (*,*) "Moving ",source(:ilen(source)), & " from temporary directory to working directory" - write (*,*) "/bin/mv "//source(:ilen(source))//" "//curdir - call system("/bin/mv "//source(:ilen(source))//" "//curdir) + write (*,*) "/bin/mv "//tmpfile//" "//curdir + call system("/bin/mv "//tmpfile//" "//curdir) return end c------------------------------------------------------------------------------