From: Cezary Czaplewski Date: Wed, 9 May 2012 12:21:21 +0000 (+0200) Subject: compilation of DFA/CSA code X-Git-Tag: v.3.2~116 X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=e6be6f3432696603440b91ad5a5732214f003264 compilation of DFA/CSA code --- diff --git a/bin/unres/CSA/unres_csa_ifort_mpich-1.2.7p1.exe b/bin/unres/CSA/unres_csa_ifort_mpich-1.2.7p1.exe index e795af5..50cc426 100755 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 diff --git a/source/unres/src_CSA/readrtns_csa.F b/source/unres/src_CSA/readrtns_csa.F index 44709ce..df144f4 100644 --- a/source/unres/src_CSA/readrtns_csa.F +++ b/source/unres/src_CSA/readrtns_csa.F @@ -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!'