X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Freadrtns.F;fp=source%2Fcluster%2Fwham%2Fsrc-M%2Freadrtns.F;h=6769fb734ad107e5ef6cb53a3591698d97366b39;hb=ce23246258bf50c33a76d6b2685ff2a3f76f896d;hp=ea51dbf8262455873fa2ae0415452ecacd9a33e9;hpb=d49e46757e9d141bbeff7e406cbc839fe6ab3952;p=unres.git diff --git a/source/cluster/wham/src-M/readrtns.F b/source/cluster/wham/src-M/readrtns.F index ea51dbf..6769fb7 100644 --- a/source/cluster/wham/src-M/readrtns.F +++ b/source/cluster/wham/src-M/readrtns.F @@ -118,8 +118,10 @@ C Body C C Read weights of the subsequent energy terms. call card_concat(weightcard) + write(iout,*) weightcard call reada(weightcard,'WSC',wsc,1.0d0) call reada(weightcard,'WLONG',wsc,wsc) + write(iout,*) "WLONG=",wsc call reada(weightcard,'WSCP',wscp,1.0d0) call reada(weightcard,'WELEC',welec,1.0D0) call reada(weightcard,'WVDWPP',wvdwpp,welec) @@ -150,10 +152,12 @@ C Read weights of the subsequent energy terms. call reada(weightcard,"V2SS",v2ss,7.61d0) call reada(weightcard,"V3SS",v3ss,13.7d0) call reada(weightcard,"EBR",ebr,-5.50D0) + write (iout,*) "atriss",atriss call reada(weightcard,"ATRISS",atriss,0.301D0) call reada(weightcard,"BTRISS",btriss,0.021D0) call reada(weightcard,"CTRISS",ctriss,1.001D0) call reada(weightcard,"DTRISS",dtriss,1.001D0) + write(iout,*) "after" write (iout,*) "ATRISS=", atriss write (iout,*) "BTRISS=", btriss write (iout,*) "CTRISS=", ctriss @@ -213,7 +217,7 @@ C 12/1/95 Added weight for the multi-body term WCORR & wtor_d,wstrain,wel_loc,wcorr,wcorr5,wcorr6,wturn3, & wturn4,wturn6,wsccor 10 format (/'Energy-term weights (unscaled):'// - & 'WSCC= ',f10.6,' (SC-SC)'/ + & 'WSC= ',f10.6,' (SC-SC)'/ & 'WSCP= ',f10.6,' (SC-p)'/ & 'WELEC= ',f10.6,' (p-p electr)'/ & 'WVDWPP= ',f10.6,' (p-p VDW)'/