X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2Freadrtns.F;h=8e63ff8964d67fdfbfd34bdecfc9859bfd59a3e0;hb=ff73ddbe323f5af85e31af14caa0ee6fc162a94a;hp=c565129c8bcfda9f1b4d446e1307d150d44fbc90;hpb=349f6fe2d435277d26d84f388aa8b4312a1f9a04;p=unres.git diff --git a/source/cluster/wham/src/readrtns.F b/source/cluster/wham/src/readrtns.F index c565129..8e63ff8 100644 --- a/source/cluster/wham/src/readrtns.F +++ b/source/cluster/wham/src/readrtns.F @@ -125,6 +125,7 @@ C Read weights of the subsequent energy terms. call reada(weightcard,'SCALSCP',scalscp,1.0d0) call reada(weightcard,'CUTOFF',cutoff_corr,7.0d0) call reada(weightcard,'DELT_CORR',delt_corr,0.5d0) + call reada(weightcard,'WSCCOR',wsccor,1.0D0) if (index(weightcard,'SOFT').gt.0) ipot=6 C 12/1/95 Added weight for the multi-body term WCORR call reada(weightcard,'WCORRH',wcorr,1.0D0) @@ -149,7 +150,7 @@ C 12/1/95 Added weight for the multi-body term WCORR weights(18)=scal14 write (iout,10) wsc,wscp,welec,wvdwpp,wbond,wang,wscloc,wtor, & wtor_d,wstrain,wel_loc,wcorr,wcorr5,wcorr6,wturn3, - & wturn4,wturn6 + & wturn4,wturn6,wsccor 10 format (/'Energy-term weights (unscaled):'// & 'WSCC= ',f10.6,' (SC-SC)'/ & 'WSCP= ',f10.6,' (SC-p)'/ @@ -167,7 +168,8 @@ C 12/1/95 Added weight for the multi-body term WCORR & 'WCORR6= ',f10.6,' (multi-body 6th order)'/ & 'WTURN3= ',f10.6,' (turns, 3rd order)'/ & 'WTURN4= ',f10.6,' (turns, 4th order)'/ - & 'WTURN6= ',f10.6,' (turns, 6th order)') + & 'WTURN6= ',f10.6,' (turns, 6th order)'/ + & 'WSCCOR= ',f10.6,' (SC-backbone torsinal correalations)') if (wcorr4.gt.0.0d0) then write (iout,'(/2a/)') 'Local-electrostatic type correlation ', & 'between contact pairs of peptide groups'