X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fdfa.F;h=381afa3b28948664a3349e120844544c95e5616e;hb=d28adcc189ba04a8f8ede9160c3e51e73d92a920;hp=00cf12c77da4005a604925c9306967c51a7e8af9;hpb=42251e287a50083c0337e4d78b357b370f832666;p=unres.git diff --git a/source/wham/src/dfa.F b/source/wham/src/dfa.F index 00cf12c..381afa3 100644 --- a/source/wham/src/dfa.F +++ b/source/wham/src/dfa.F @@ -71,9 +71,11 @@ C read fragment informations C implicit real*8 (a-h,o-z) include 'DIMENSIONS' + include 'DIMENSIONS.ZSCOPT' include 'COMMON.IOUNITS' include 'COMMON.CHAIN' include 'COMMON.DFA' + include 'COMMON.FFIELD' C NOTE THAT FILENAMES are FIXED, CURRENTLY!! @@ -236,6 +238,7 @@ 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'