X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_Eshel%2FCOMMON.TORSION;fp=source%2Funres%2Fsrc_Eshel%2FCOMMON.TORSION;h=6b6605fa49d478b77d88dd901f39d999cd0aa970;hb=d101c97dea752458d76055fdbae49c26fff03c1f;hp=0000000000000000000000000000000000000000;hpb=325eda160c9ad2982501e091ca40606a29043712;p=unres.git

diff --git a/source/unres/src_Eshel/COMMON.TORSION b/source/unres/src_Eshel/COMMON.TORSION
new file mode 100644
index 0000000..6b6605f
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+++ b/source/unres/src_Eshel/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),v1(maxterm,maxtor,maxtor),
+     &    v2(maxterm,maxtor,maxtor),vlor1(maxlor,maxtor,maxtor),
+     &    vlor2(maxlor,maxtor,maxtor),vlor3(maxlor,maxtor,maxtor),
+     &    itortyp(ntyp),ntortyp,nterm(maxtor,maxtor),nlor(maxtor,maxtor) 
+     &    ,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)
+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
+      integer nloctyp
+      common/fourier/ b1(2,maxtor),b2(2,maxtor),cc(2,2,maxtor),
+     &    dd(2,2,maxtor),ee(2,2,maxtor),ctilde(2,2,maxtor),
+     &    dtilde(2,2,maxtor),b1tilde(2,maxtor),nloctyp