C 4. The torsional angles omega of SC orientation: 2*nres-4+nside+1
C thru 2*nre-4+2*nside
C
- implicit real*8 (a-h,o-z)
+ implicit none
include 'DIMENSIONS'
include 'COMMON.VAR'
include 'COMMON.GEO'
include 'COMMON.CHAIN'
+ integer n,i
double precision x(n)
cd print *,'nres',nres,' nphi',nphi,' ntheta',ntheta,' nvar',nvar
do i=4,nres
C
C Update geometry parameters according to the variable array.
C
- implicit real*8 (a-h,o-z)
+ implicit none
include 'DIMENSIONS'
include 'COMMON.VAR'
include 'COMMON.CHAIN'
include 'COMMON.GEO'
include 'COMMON.IOUNITS'
- dimension x(n)
+ integer n
+ integer i,ii
+ double precision x(n)
logical change,reduce
+ double precision pinorm
change=reduce(x)
if (n.gt.nphi+ntheta) then
do i=1,nside
C
C Apply periodic restrictions to variables.
C
- implicit real*8 (a-h,o-z)
+ implicit none
include 'DIMENSIONS'
include 'COMMON.VAR'
include 'COMMON.CHAIN'
include 'COMMON.GEO'
logical zm,zmiana,convert_side
- dimension x(nvar)
+ integer i,ii,iii
+ double precision x(nvar)
+ double precision thetnorm,pinorm
zmiana=.false.
do i=4,nres
x(i-3)=pinorm(x(i-3))
C
C Update geometry parameters according to the variable array.
C
- implicit real*8 (a-h,o-z)
+ implicit none
include 'DIMENSIONS'
include 'COMMON.VAR'
include 'COMMON.CHAIN'
include 'COMMON.GEO'
include 'COMMON.IOUNITS'
- dimension x(maxvar),xx(maxvar)
+ integer n,i,ii
+ double precision x(maxvar),xx(maxvar)
logical change,reduce
+ double precision pinorm
call xx2x(x,xx)
change=reduce(x)