include 'DIMENSIONS'
include 'DIMENSIONS.ZSCOPT'
include 'DIMENSIONS.COMPAR'
+ include 'DIMENSIONS.FREE'
include 'COMMON.IOUNITS'
include 'COMMON.COMPAR'
include 'COMMON.CHAIN'
include 'DIMENSIONS'
include 'DIMENSIONS.ZSCOPT'
include 'DIMENSIONS.COMPAR'
+ include 'DIMENSIONS.FREE'
include 'COMMON.CONTROL'
include 'COMMON.IOUNITS'
include 'COMMON.COMPAR'
include 'DIMENSIONS'
include 'DIMENSIONS.ZSCOPT'
include 'DIMENSIONS.COMPAR'
+ include 'DIMENSIONS.FREE'
include 'COMMON.IOUNITS'
include 'COMMON.COMPAR'
include 'COMMON.CHAIN'
rminrms=10.0d10
rmsminsing=10d10
nperm=1
+C write (iout,*) "tu2", nres,nsup
+ noverlap=nres
+ if (nres.gt.nsup) noverlap=nsup
+c write (iout,*) "tu3,",noverlap
do i=1,symetr
nperm=nperm*i
enddo
do kkk=1,nperm
nnsup=0
- do i=1,nres
- if (itype(i).ne.21) then
+ do i=1,noverlap
+ if (itype(i).ne.ntyp1) then
nnsup=nnsup+1
do j=1,3
cc(j,nnsup)=c(j,i)