intoduction of quartic restrains in multichain, bugfix in single chain

[unres.git] / source / unres / src_MD-M / gnmr1.f

diff --git a/source/unres/src_MD-M/gnmr1.f b/source/unres/src_MD-M/gnmr1.f
index f44e404..8bfc43a 100644 (file)
--- a/source/unres/src_MD-M/gnmr1.f
+++ b/source/unres/src_MD-M/gnmr1.f
@@ -61,10 +61,10 @@ c------------------------------------------------------------------------------
       double precision wykl /4.0d0/
       if (y.lt.ymin) then
         rlornmr1prim=-(ymin-y)**(wykl-1)*sigma**wykl*wykl/
-     &   ((ymin-y)**wykl+sigma**wykl)
+     &   ((ymin-y)**wykl+sigma**wykl)**2
       else if (y.gt.ymax) then
         rlornmr1prim=(y-ymax)**(wykl-1)*sigma**wykl*wykl/
-     & ((y-ymax)**wykl+sigma**wykl)
+     & ((y-ymax)**wykl+sigma**wykl)**2
       else
         rlornmr1prim=0.0d0
       endif