more xdrfpdb fixes for gfortran build
authorDawid Jagiela <lightnir@chem.univ.gda.pl>
Tue, 22 May 2012 21:06:12 +0000 (23:06 +0200)
committerDawid Jagiela <lightnir@chem.univ.gda.pl>
Tue, 22 May 2012 21:06:12 +0000 (23:06 +0200)
source/xdrfpdb/src-M/xdrf2pdb-m.F
source/xdrfpdb/src/xdrf2ang.f
source/xdrfpdb/src/xdrf2pdb-m.F
source/xdrfpdb/src/xdrf2x.F

index 0016d40..b665b89 100644 (file)
@@ -39,7 +39,8 @@
    10   continue
         nres=i
         i=0
-        do while (.not.iblnk(sequenc(i+1)(1:1)))
+c        do while (.not.iblnk(sequenc(i+1)(1:1)))
+        do while (.not.(iblnk(sequenc(i+1)(1:1))==0) )
           i=i+1
         enddo 
         nres=i
@@ -51,7 +52,8 @@
    11   continue
         nres=i
         i=0
-        do while (.not.iblnk(sequenc(i+1)(1:1)))
+c        do while (.not.iblnk(sequenc(i+1)(1:1)))
+        do while (.not.(iblnk(sequenc(i+1)(1:1))==0))
           i=i+1
         enddo 
         nres=i
index 83daf77..dbd5852 100644 (file)
@@ -47,7 +47,8 @@
    10   continue
         nres=i
         i=0
-        do while (.not.iblnk(sequenc(i+1)(1:1)))
+c        do while (.not.iblnk(sequenc(i+1)(1:1)))
+        do while (.not.(iblnk(sequenc(i+1)(1:1)) == 0) )
           i=i+1
         enddo 
         nres=i
index 6a116ee..f929efe 100644 (file)
@@ -39,7 +39,8 @@
    10   continue
         nres=i
         i=0
-        do while (.not.iblnk(sequenc(i+1)(1:1)))
+c        do while (.not.iblnk(sequenc(i+1)(1:1)))
+        do while (.not.(iblnk(sequenc(i+1)(1:1)) == 0))
           i=i+1
         enddo 
         nres=i
@@ -51,7 +52,8 @@
    11   continue
         nres=i
         i=0
-        do while (.not.iblnk(sequenc(i+1)(1:1)))
+c        do while (.not.iblnk(sequenc(i+1)(1:1)))
+        do while (.not.(iblnk(sequenc(i+1)(1:1)) == 0))
           i=i+1
         enddo 
         nres=i
index b6e86cf..be662e6 100644 (file)
@@ -3,7 +3,8 @@
       integer ihpb(100),jhpb(100)
       character*80 arg,ctime_start /"0"/,ctime_end /"1000000000"/,
      &  cfreq /"1"/
-      integer time_start,time_end,freq
+c      integer time_start,time_end,freq
+      real time_start,time_end,freq
       
       call getarg(1,arg)
       if (iargc().eq.0) stop