X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD%2FCOMMON.TORSION;h=5f4b2b72d65819143497462d180de84da6eaaf4c;hb=7ac044004baeac41c3c91c38a1b3c3546287e624;hp=5f407ec6d7e79fddaf4c137b6c2c2c2c95394cb5;hpb=746b71e825ca1fada9877a347562459b8390629d;p=unres.git

diff --git a/source/unres/src_MD/COMMON.TORSION b/source/unres/src_MD/COMMON.TORSION
index 5f407ec..5f4b2b7 100644
--- a/source/unres/src_MD/COMMON.TORSION
+++ b/source/unres/src_MD/COMMON.TORSION
@@ -1,26 +1,30 @@
 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
-      common/torsion/v0(-maxtor:maxtor,-maxtor:maxtor),
-     &    v1(maxterm,-maxtor:maxtor,-maxtor:maxtor),
-     &    v2(maxterm,-maxtor:maxtor,-maxtor:maxtor),
-     &    vlor1(maxlor,maxtor,maxtor),
+      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),
-     &    itortyp(-ntyp:ntyp),ntortyp,
-     &     nterm(-maxtor:maxtor,-maxtor:maxtor,2),
-     &     nlor(-maxtor:maxtor,-maxtor:maxtor,2) 
+     &    itortyp(-ntyp1:ntyp1),ntortyp,
+     &    nterm(-maxtor:maxtor,-maxtor:maxtor,2),
+     &    nlor(-maxtor:maxtor,-maxtor:maxtor,2) 
      &    ,nterm_old
 C 6/23/01 - constants for double torsionals
       double precision v1c,v1s,v2c,v2s
       integer ntermd_1,ntermd_2
-      common /torsiond/ v1c(2,maxtermd_1,maxtor,maxtor,maxtor),
-     &    v1s(2,maxtermd_1,maxtor,maxtor,maxtor),
-     &    v2c(maxtermd_2,maxtermd_2,maxtor,maxtor,maxtor),
-     &    v2s(maxtermd_2,maxtermd_2,maxtor,maxtor,maxtor),
-     &    ntermd_1(maxtor,maxtor,maxtor),ntermd_2(maxtor,maxtor,maxtor)
+      common /torsiond/ 
+     &v1c(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
+     &v1s(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
+     &v2c(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor,
+     &    -maxtor:maxtor,2),
+     &v2s(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor,
+     &    -maxtor:maxtor,2),
+     &    ntermd_1(-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
+     &    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),