X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fmolread_zs.F;h=df062e534c3f8e18d2b29fbd8ff374a619834b89;hb=a1e2f7505712e67c4a485fc9b56e8cdfdc25c84e;hp=55c3fecb8114188698ffee3b918e3a9cad9438dc;hpb=3a2758de24121fb0f72bd604e2163b7a4b73a27e;p=unres.git

diff --git a/source/wham/src-M/molread_zs.F b/source/wham/src-M/molread_zs.F
index 55c3fec..df062e5 100644
--- a/source/wham/src-M/molread_zs.F
+++ b/source/wham/src-M/molread_zs.F
@@ -361,6 +361,11 @@ c SAXS distance distribution
       do i=1,nsaxs
         write (iout,'(f8.2,e15.5)') distsaxs(i),Psaxs(i)
       enddo
+      Wsaxs0=0.0d0
+      do i=1,nsaxs
+        Wsaxs0=Wsaxs0-Psaxs(i)*dlog(Psaxs(i))
+      enddo
+      write (iout,*) "Wsaxs0",Wsaxs0
       else
 c SAXS "spheres".
       do i=1,nsaxs