Merge branch 'lipid' of mmka.chem.univ.gda.pl:unres into lipid

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

diff --git a/source/unres/src_MD-M-newcorr/COMMON.TORSION b/source/unres/src_MD-M-newcorr/COMMON.TORSION
new file mode 100644 (file)
index 0000000..3f1b981
--- /dev/null
+++ b/source/unres/src_MD-M-newcorr/COMMON.TORSION
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+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,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(-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: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,b1tilde,
+     &bnew1,bnew2,eenew,gtb1,gtb2,eeold,gtee
+      integer nloctyp
+      common/fourier/ b1(2,maxres),b2(2,maxres),
+     &    bnew1(3,2,-maxtor:maxtor),bnew2(3,2,-maxtor:maxtor),
+     &    cc(2,2,-maxtor:maxtor),
+     &    dd(2,2,-maxtor:maxtor),eeold(2,2,-maxtor:maxtor),
+     &    eenew(2,-maxtor:maxtor),
+     &    ee(2,2,maxres),
+     &    ctilde(2,2,-maxtor:maxtor),
+     &    dtilde(2,2,-maxtor:maxtor),b1tilde(2,maxres),
+     &    b2tilde(2,maxres),
+     &    gtb1(2,maxres),gtb2(2,maxres),gtEE(2,2,maxres),
+     &    nloctyp
+