AFM cleaning with pgi compiler

[unres.git] / source / unres / src_MD-M / energy_p_new_barrier.F

diff --git a/source/unres/src_MD-M/energy_p_new_barrier.F b/source/unres/src_MD-M/energy_p_new_barrier.F
index c919907..215fb6c 100644 (file)
--- a/source/unres/src_MD-M/energy_p_new_barrier.F
+++ b/source/unres/src_MD-M/energy_p_new_barrier.F
@@ -11369,7 +11369,7 @@ C now costhet_grad
        enddo
 
       VofOverlap=VSolvSphere/2.0d0*(1.0-costhet)*(1.0-cosphi)
-     &                    /VSolvSphere_div
+     &                    /VSolvSphere_div*4.0d0
 C now the gradient...
 C grad_shield is gradient of Calfa for peptide groups
 C      write(iout,*) "shield_compon",i,k,VSolvSphere,scale_fac_dist,