X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Freadrtns_CSA.F;h=3987a4de5b9172842ebc21da9eb3ec44e7c5c7e2;hb=b913c8425e6d7f8ed27a8d1eda35daae04f7ae70;hp=6984aeb5a837e74434529de48da582fae5b91acf;hpb=0e3666de2f89a5360d30e6ae5e18f8d7856daacd;p=unres.git diff --git a/source/unres/src_MD-M/readrtns_CSA.F b/source/unres/src_MD-M/readrtns_CSA.F index 6984aeb..3987a4d 100644 --- a/source/unres/src_MD-M/readrtns_CSA.F +++ b/source/unres/src_MD-M/readrtns_CSA.F @@ -539,7 +539,7 @@ C integer rescode double precision x(maxvar) character*256 pdbfile - character*320 weightcard + character*400 weightcard character*80 weightcard_t,ucase dimension itype_pdb(maxres) common /pizda/ itype_pdb @@ -680,10 +680,14 @@ C 12/1/95 Added weight for the multi-body term WCORR call reada(weightcard,"V2SS",v2ss,7.61d0) call reada(weightcard,"V3SS",v3ss,13.7d0) call reada(weightcard,"EBR",ebr,-5.50D0) - call reada(weightcard,"DTRISS",dtriss,1.0D0) - call reada(weightcard,"ATRISS",atriss,0.3D0) - call reada(weightcard,"BTRISS",btriss,0.02D0) - call reada(weightcard,"CTRISS",ctriss,1.0D0) + 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,*) "ATRISS=", atriss + write (iout,*) "BTRISS=", btriss + write (iout,*) "CTRISS=", ctriss + write (iout,*) "DTRISS=", dtriss dyn_ss=(index(weightcard,'DYN_SS').gt.0) do i=1,maxres dyn_ss_mask(i)=.false.