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zabezpieczenie przedczarkowe
[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
5f4b2b7
..
95472be
100644
(file)
--- a/
source/unres/src_MD-M/COMMON.TORSION
+++ b/
source/unres/src_MD-M/COMMON.TORSION
@@
-24,10
+24,17
@@
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
& 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
+ double precision b1,b2,cc,dd,ee,ctilde,dtilde,b2tilde,b1tilde,
+ &bnew1,bnew2,eenew,ggb1,ggb2
integer nloctyp
integer nloctyp
- common/fourier/ b1(2,-maxtor:maxtor),b2(2,-maxtor:maxtor)
- & ,cc(2,2,-maxtor:maxtor),
+ 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),ee(2,2,-maxtor:maxtor),
& dd(2,2,-maxtor:maxtor),ee(2,2,-maxtor:maxtor),
+ & eenew(2,-maxtor:maxtor),
& ctilde(2,2,-maxtor:maxtor),
& ctilde(2,2,-maxtor:maxtor),
- & dtilde(2,2,-maxtor:maxtor),b1tilde(2,-maxtor:maxtor),nloctyp
+ & dtilde(2,2,-maxtor:maxtor),b1tilde(2,maxres),
+ & b2tilde(2,maxres),
+ & gtb1(2,maxres),gtb2(2,maxres),
+ & nloctyp
+