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Adam's new constr_dist
[unres.git]
/
source
/
wham
/
src-M
/
molread_zs.F
diff --git
a/source/wham/src-M/molread_zs.F
b/source/wham/src-M/molread_zs.F
index
55c3fec
..
df062e5
100644
(file)
--- 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