X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-HCD%2Fparmread.F;h=4636b6095ae0188b799377010f7b547786df771e;hb=f9783c27de185ff3e1d6e874a37a1a8c4d3c93a3;hp=ecf40a72df047fd3f6fc054d938c2f34d0fb8d6c;hpb=1346fb3959c2eb0a370b11bc6ccad5e4cca27ec9;p=unres.git diff --git a/source/wham/src-HCD/parmread.F b/source/wham/src-HCD/parmread.F index ecf40a7..4636b60 100644 --- a/source/wham/src-HCD/parmread.F +++ b/source/wham/src-HCD/parmread.F @@ -63,6 +63,8 @@ C Assign virtual-bond length call reada(controlcard,'SCALSCP',scalscp,1.0d0) call reada(controlcard,'CUTOFF',cutoff_corr,7.0d0) call reada(controlcard,'DELT_CORR',delt_corr,0.5d0) + call reada(controlcard,'LIPSCALE',lipscale,1.0D0) +c write (iout,*) "lipscale",lipscale r0_corr=cutoff_corr-delt_corr write (iout,*) "iparm",iparm," myparm",myparm @@ -102,8 +104,8 @@ c V2SS = 7.61d0 V3SS = 13.7d0 - 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