compilation of DFA/CSA code
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Wed, 9 May 2012 12:21:21 +0000 (14:21 +0200)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Wed, 9 May 2012 12:21:21 +0000 (14:21 +0200)
bin/unres/CSA/unres_csa_ifort_mpich-1.2.7p1.exe
source/unres/src_CSA/readrtns_csa.F

index e795af5..50cc426 100755 (executable)
Binary files a/bin/unres/CSA/unres_csa_ifort_mpich-1.2.7p1.exe and b/bin/unres/CSA/unres_csa_ifort_mpich-1.2.7p1.exe differ
index 44709ce..df144f4 100644 (file)
@@ -577,7 +577,7 @@ C     Juyong:READ read_info
 C     READ fragment information!!
 C     both routines should be in dfa.F file!!
 
-      if (.not. (wdfa_dist.eq.0.0 .and. wdfa_tor.eq.0.0
+      if (.not. (wdfa_dist.eq.0.0 .and. wdfa_tor.eq.0.0 .and.
      &            wdfa_nei.eq.0.0 .and. wdfa_beta.eq.0.0)) then
        call init_dfa_vars
        print*, 'init_dfa_vars finished!'