Fixed the addition of dummy chain ends to structures read from UNRES PDB files

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

diff --git a/source/unres/src_MD-M/bond_move.f b/source/unres/src_MD-M/bond_move.f
index 4c0761a..4843f60 100644 (file)
--- a/source/unres/src_MD-M/bond_move.f
+++ b/source/unres/src_MD-M/bond_move.f
@@ -8,10 +8,9 @@ C Move NBOND fragment starting from the CA(nstart) by angle PSI.
       include 'COMMON.GEO'
       include 'COMMON.CHAIN'
       include 'COMMON.VAR'
-      include 'COMMON.REFSYS'
       include 'COMMON.IOUNITS'
       include 'COMMON.MCM'
-      dimension x(3),e(3,3),rot(3,3),trans(3,3)
+      dimension x(3),e(3,3),e1(3),e2(3),e3(3),rot(3,3),trans(3,3)
       error=.false.
       nend=nstart+nbond
       if (print_mc.gt.2) then
@@ -32,7 +31,7 @@ C Generate the reference system.
       i2=nend
       i3=nstart
       i4=nstart+1
-      call refsys(error) 
+      call refsys(i2,i3,i4,e1,e2,e3,error) 
 C Return, if couldn't define the reference system.
       if (error) return
 C Compute the transformation matrix.