X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fparmread.F;h=b0bde79f265d5457951b5aba97bea6cb975e6a4a;hb=60a3f9d89e537f69c6c19a8240c6c8dc6b2a1db0;hp=36730f5a7bfa12512c7c19cb17ff8d5f5cae3004;hpb=db549f57ffcb6ea5f69434155a091e334a711065;p=unres.git diff --git a/source/wham/src/parmread.F b/source/wham/src/parmread.F index 36730f5..b0bde79 100644 --- a/source/wham/src/parmread.F +++ b/source/wham/src/parmread.F @@ -99,6 +99,12 @@ c wstrain=ww(15) wbond=ww(18) wsccor=ww(19) + wdfa_dist=ww(23) + wdfa_tor=ww(24) + wdfa_nei=ww(25) + wdfa_beta=ww(26) + write (iout,*) "wdfa_dist",wdfa_dist," wdfa_tor",wdfa_tor, + & " wdfa_nei",wdfa_nei," wdfa_beta",wdfa_beta endif cc write(iout,*) "KURWA", wstrain,akcm,akth,wsc,dyn_ss @@ -892,7 +898,7 @@ c augm(i,j)=0.5D0**(2*expon)*aa(i,j) enddo enddo C -C Define the SC-p interaction constants +C Define the SC-p interaction constants and SS bond potentials C if (dyn_ss) then ss_depth=ebr/wsc-0.25*eps(1,1)