X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-HCD%2Freadrtns.F;h=2cd4ee11857da73c4e4025df9e80c3bce7c97f53;hb=809cbbbaf17b645d881fe5c61387d09109acdf19;hp=057f1ac9836f9a02c13944e3179f63707dd5b024;hpb=57038e4bdff4cc9534106b25bfbd4b9a844d47fd;p=unres.git diff --git a/source/cluster/wham/src-HCD/readrtns.F b/source/cluster/wham/src-HCD/readrtns.F index 057f1ac..2cd4ee1 100644 --- a/source/cluster/wham/src-HCD/readrtns.F +++ b/source/cluster/wham/src-HCD/readrtns.F @@ -27,6 +27,7 @@ C read (INP,'(a80)') titel call card_concat(controlcard) + dyn_ss = index(controlcard,"DYN_SS").gt.0 energy_dec=(index(controlcard,'ENERGY_DEC').gt.0) unres_pdb = index(controlcard,'UNRES_PDB') .gt. 0 call readi(controlcard,'TORMODE',tor_mode,0) @@ -234,6 +235,7 @@ C Read weights of the subsequent energy terms. call reada(weightcard,'WDFAN',wdfa_nei,0.0d0) call reada(weightcard,'WDFAB',wdfa_beta,0.0d0) call reada(weightcard,'WLT',wliptran,0.0D0) + call reada(weightcard,'LIPSCALE',lipscale,1.0D0) call reada(weightcard,"ATRISS",atriss,0.301D0) call reada(weightcard,"BTRISS",btriss,0.021D0) call reada(weightcard,"CTRISS",ctriss,1.001D0)