X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Fenergy_p_new.F;h=55cc7a17da5f155024e1d16c133d782d63e89543;hb=17f6ba1f1fcc75e0823f1cfb16fa99c11f606d6d;hp=340af750858847e90a5298ccb7402b52ee59ec37;hpb=058b4e72d61c149f66570d580bda9b47464d9df6;p=unres.git

diff --git a/source/cluster/wham/src-M/energy_p_new.F b/source/cluster/wham/src-M/energy_p_new.F
index 340af75..55cc7a1 100644
--- a/source/cluster/wham/src-M/energy_p_new.F
+++ b/source/cluster/wham/src-M/energy_p_new.F
@@ -9806,7 +9806,8 @@ c SC SC
            enddo ! k
 #else
            dijCACA=dist(i,j)
-           sigma2CACA=0.25d0/(restok(itype(j))**2+restok(itype(i))**2)
+           sigma2CACA=scal_rad**2*0.25d0/
+     &        (restok(itype(j))**2+restok(itype(i))**2)
            do k=1,nsaxs
              dk = distsaxs(k)
              expCACA = dexp(-0.5d0*sigma2CACA*(dijCACA-dk)**2)