saxs SCAL_RAD input parameter

[unres.git] / source / wham / src-M / energy_p_new.F

diff --git a/source/wham/src-M/energy_p_new.F b/source/wham/src-M/energy_p_new.F
index de97b0b..fdc98e4 100644 (file)
--- a/source/wham/src-M/energy_p_new.F
+++ b/source/wham/src-M/energy_p_new.F
@@ -8795,7 +8795,8 @@ 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)