X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fmolread_zs.F;h=a736e9c7765542db73821bbe1dc9c752be3f45ad;hb=6304fe426dd266ba99503f2cc4a5b9d396511b2f;hp=b12fcfd079b9a4a48b764142cd01ac77b1470257;hpb=357148eb01c1ea7e5cfd362d34f1e1ab61c8f2a8;p=unres.git

diff --git a/source/wham/src/molread_zs.F b/source/wham/src/molread_zs.F
index b12fcfd..a736e9c 100644
--- a/source/wham/src/molread_zs.F
+++ b/source/wham/src/molread_zs.F
@@ -509,6 +509,7 @@ c    &    sigma_odl_temp(maxres,maxres,max_template)
       character*500 controlcard
       integer ki, i, j, k, l
       logical lprn /.true./
+      logical unres_pdb
 c
 c     FP - Nov. 2014 Temporary specifications for new vars
 c
@@ -690,9 +691,13 @@ c
               sigma_odl(k,ii)=rescore(k,i)+rescore(k,j) ! other exprs possible
 c             sigma_odl(k,ii)=hmscore(k)*rescore(k,i)*rescore(k,j)
             else
-              sigma_odl(k,ii)=(rescore(k,i)+rescore(k,j))* ! sigma ~ rescore ~ error 
+#ifdef OLDSIGMA
+              sigma_odl(k,ii)=(rescore(k,i)+rescore(k,j))* ! sigma ~ rescore ~ error
      &                      dexp(0.5d0*(odl(k,ii)/dist_cut)**2)
-
+#else
+              sigma_odl(k,ii)=(rescore(k,i)+rescore(k,j))* ! sigma ~ rescore ~ error
+     &                      dexp(0.5d0*(odl(k,ii)/dist_cut)**2-0.5d0)
+#endif
 c   Following expr replaced by a positive exp argument
 c             sigma_odl(k,ii)=(rescore(k,i)+rescore(k,j))*
 c    &                      dexp(-0.5d0*(odl(k,ii)/dist_cut)**2)