call chainbuild
endif
C Following 2 lines for diagnostics; comment out if not needed
- write (iout,*) "After sideadd"
- call intout
+c write (iout,*) "After sideadd"
+c call intout
endif
if (indpdb.eq.0) then
C Read sequence if not taken from the pdb file.
C Read preformed bridges.
if (ns.gt.0) then
read (inp,*) nss,(ihpb(i),jhpb(i),i=1,nss)
- write (iout,*) 'nss=',nss,' ihpb,jhpb: ',(ihpb(i),jhpb(i),i=1,nss)
+ if(fg_rank.eq.0)
+ & write(iout,*)'nss=',nss,' ihpb,jhpb: ',(ihpb(i),jhpb(i),i=1,nss)
if (nss.gt.0) then
nhpb=nss
C Check if the residues involved in bridges are in the specified list of
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)
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)
if (wfrag_(i).gt.0.0d0) then
do j=ifrag_(1,i),ifrag_(2,i)-1
do k=j+1,ifrag_(2,i)
- write (iout,*) "j",j," k",k
+c write (iout,*) "j",j," k",k
ddjk=dist(j,k)
if (constr_dist.eq.1) then
nhpb=nhpb+1
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------------------------------------------------------------------------------