adding of Czybyshev part 1

[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 4cf97e3..d9a2fea 100644 (file)
--- a/source/unres/src_MD-M/COMMON.TORSION
+++ b/source/unres/src_MD-M/COMMON.TORSION
@@ -1,15 +1,23 @@
 C Torsional constants of the rotation about virtual-bond dihedral angles
       double precision v1,v2,vlor1,vlor2,vlor3,v0
-      integer itortyp,ntortyp,nterm,nlor,nterm_old
+      integer itortyp,ntortyp,nterm,nlor,nterm_old,nterm_kcc_Tb,
+     &   nterm_kcc,itortyp_kcc
       common/torsion/v0(-maxtor:maxtor,-maxtor:maxtor,2),
      &    v1(maxterm,-maxtor:maxtor,-maxtor:maxtor,2),
      &    v2(maxterm,-maxtor:maxtor,-maxtor:maxtor,2),
      &    vlor1(maxlor,-maxtor:maxtor,-maxtor:maxtor),
      &    vlor2(maxlor,maxtor,maxtor),vlor3(maxlor,maxtor,maxtor),
+     &    v1_kcc(maxtermkcc,-maxtor:maxtor,-maxtor:maxtor),
+     &    v2_kcc(maxtermkcc,-maxtor:maxtor,-maxtor:maxtor),
+     &    v1_chyb(maxtermkcc,-maxtor:maxtor,-maxtor:maxtor),
+     &    v2_chyb(maxtermkcc,-maxtor:maxtor,-maxtor:maxtor),
      &    itortyp(-ntyp1:ntyp1),ntortyp,
+     &    itortyp_kcc(-ntyp1:ntyp1),
      &    nterm(-maxtor:maxtor,-maxtor:maxtor,2),
-     &    nlor(-maxtor:maxtor,-maxtor:maxtor,2) 
-     &    ,nterm_old
+     &    nlor(-maxtor:maxtor,-maxtor:maxtor,2), 
+     &    nterm_kcc_Tb(-maxtor:maxtor,-maxtor:maxtor),
+     &    nterm_kcc(-maxtor:maxtor,-maxtor:maxtor),
+     &    nterm_old
 C 6/23/01 - constants for double torsionals
       double precision v1c,v1s,v2c,v2s
       integer ntermd_1,ntermd_2