Optimization of the solution for the disulfide problem.

[unres.git] / source / unres / src_MD-M / COMMON.TORSION

diff --git a/source/unres/src_MD-M/COMMON.TORSION b/source/unres/src_MD-M/COMMON.TORSION
index f6837cf..5f4b2b7 100644 (file)
--- a/source/unres/src_MD-M/COMMON.TORSION
+++ b/source/unres/src_MD-M/COMMON.TORSION
@@ -6,7 +6,7 @@ C Torsional constants of the rotation about virtual-bond dihedral angles
      &    v2(maxterm,-maxtor:maxtor,-maxtor:maxtor,2),
      &    vlor1(maxlor,-maxtor:maxtor,-maxtor:maxtor),
      &    vlor2(maxlor,maxtor,maxtor),vlor3(maxlor,maxtor,maxtor),
-     &    itortyp(-ntyp:ntyp),ntortyp,
+     &    itortyp(-ntyp1:ntyp1),ntortyp,
      &    nterm(-maxtor:maxtor,-maxtor:maxtor,2),
      &    nlor(-maxtor:maxtor,-maxtor:maxtor,2) 
      &    ,nterm_old
@@ -24,7 +24,7 @@ C 6/23/01 - constants for double torsionals
      &    ntermd_2(-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2)
 C 9/18/99 - added Fourier coeffficients of the expansion of local energy 
 C           surface
-      double precision b1,b2,cc,dd,ee,ctilde,dtilde,b2tilde
+      double precision b1,b2,cc,dd,ee,ctilde,dtilde,b2tilde,b1tilde
       integer nloctyp
       common/fourier/ b1(2,-maxtor:maxtor),b2(2,-maxtor:maxtor)
      &    ,cc(2,2,-maxtor:maxtor),