X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Fparmread.F;fp=source%2Funres%2Fsrc-HCD-5D%2Fparmread.F;h=4da291392e92e60c6224aad35f136503f4ae5ed8;hb=57038e4bdff4cc9534106b25bfbd4b9a844d47fd;hp=2da8851ad4ca9b04f71c034176caccb5cb643b8a;hpb=32caa3b64eb94b90fa9fd402b77263ea89efffa1;p=unres.git diff --git a/source/unres/src-HCD-5D/parmread.F b/source/unres/src-HCD-5D/parmread.F index 2da8851..4da2913 100644 --- a/source/unres/src-HCD-5D/parmread.F +++ b/source/unres/src-HCD-5D/parmread.F @@ -2096,11 +2096,12 @@ C 12/1/95 Added weight for the multi-body term WCORR do i=1,maxres dyn_ss_mask(i)=.false. enddo - do i=1,maxres-1 - do j=i+1,maxres + do i=1,max_cyst-1 + do j=i+1,max_cyst dyn_ssbond_ij(i,j)=1.0d300 enddo enddo + call flush(iout) call reada(weightcard,"HT",Ht,0.0D0) if (dyn_ss) then ss_depth=ebr/wsc-0.25*eps(1,1) @@ -2131,7 +2132,7 @@ C 12/1/95 Added weight for the multi-body term WCORR write (iout,*) "BTRISS=", btriss write (iout,*) "CTRISS=", ctriss write (iout,*) "DTRISS=", dtriss - print *,'indpdb=',indpdb,' pdbref=',pdbref +c print *,'indpdb=',indpdb,' pdbref=',pdbref endif return end