introduction of shielding effect (volume of overlap)

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

diff --git a/source/unres/src_MD-M/refsys.f b/source/unres/src_MD-M/refsys.f
index 35a881e..4b7b763 100644 (file)
--- a/source/unres/src_MD-M/refsys.f
+++ b/source/unres/src_MD-M/refsys.f
@@ -3,6 +3,8 @@ c This subroutine calculates unit vectors of a local reference system
 c defined by atoms (i2), (i3), and (i4). The x axis is the axis from
       implicit real*8 (a-h,o-z)
       include 'DIMENSIONS'
+      include 'COMMON.IOUNITS'
+      include "COMMON.CHAIN"
 c this subroutine calculates unity vectors of a local reference system
 c defined by atoms (i2), (i3), and (i4). the x axis is the axis from
 c atom (i3) to atom (i2), and the xy plane is the plane defined by atoms
@@ -13,7 +15,6 @@ c form a linear fragment. returns vectors e1, e2, and e3.
       logical fail
       double precision e1(3),e2(3),e3(3)
       double precision u(3),z(3)
-      include 'COMMON.IOUNITS'
       double precision coinc/1.0D-13/,align /1.0D-13/
 c      print *,'just initialize'
       fail=.false.