X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Fcluster%2Fwham%2Fsrc%2Fdfa.F;h=8bd0c3513ce6b5d57ecfdd9555d1897d5c52a611;hb=099575234effbe5135b0cc8d8c25a9651ee96282;hp=00cf12c77da4005a604925c9306967c51a7e8af9;hpb=42251e287a50083c0337e4d78b357b370f832666;p=unres.git diff --git a/source/cluster/wham/src/dfa.F b/source/cluster/wham/src/dfa.F index 00cf12c..8bd0c35 100644 --- a/source/cluster/wham/src/dfa.F +++ b/source/cluster/wham/src/dfa.F @@ -74,7 +74,7 @@ C include 'COMMON.IOUNITS' include 'COMMON.CHAIN' include 'COMMON.DFA' - + include 'COMMON.FFIELD' C NOTE THAT FILENAMES are FIXED, CURRENTLY!! C THIS SHOULD BE MODIFIED!! @@ -236,6 +236,7 @@ C write(*,*) 'READ NEI:',i,j,fnei(i,j) C END OF NEIGHBORING CA C READ BETA RESTRAINT + if (wdfa_beta.eq.0.0) return open(iodfa, file='beta_dfa.dat',status='old',err=39) goto 40 39 write(iout,'(a)') 'Error opening beta_dfa.dat file'