sigma read from *.sco without 0.5d0*(rescore_tmp+0.5d0)
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Fri, 29 Apr 2016 07:12:36 +0000 (09:12 +0200)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Fri, 29 Apr 2016 07:12:36 +0000 (09:12 +0200)
source/unres/src_MD/readrtns.F

index 915e5f2..eb10b7f 100644 (file)
@@ -2867,8 +2867,8 @@ c         write(iout,*) "tpl_k_rescore - ",tpl_k_rescore
      &                                idomain_tmp
              i_tmp=i_tmp+nnt-1
              idomain(k,i_tmp)=idomain_tmp
-             rescore(k,i_tmp)=0.5d0*(rescore_tmp+0.5d0)
-             rescore2(k,i_tmp)=0.5d0*(rescore2_tmp+0.5d0)
+             rescore(k,i_tmp)=rescore_tmp
+             rescore2(k,i_tmp)=rescore2_tmp
             else
              idomain(k,irec)=1
              read (ientin,*,end=1401) rescore_tmp