C endif
-c write (iout,*) "iranconf",iranconf," extconf",extconf,
-c & " start_from_models",start_from_model
if (indpdb.eq.0 .and. modecalc.ne.2 .and. modecalc.ne.4
& .and. modecalc.ne.8 .and. modecalc.ne.9 .and.
& modecalc.ne.10) then
read(inp,'(8f10.5)',end=36,err=36)
& ((c(l,k),l=1,3),k=1,nres),
& ((c(l,k+nres),l=1,3),k=nnt,nct)
+ if (nnt.gt.1) c(:,nres+1)=c(:,1)
+ if (nct.lt.nres) c(:,2*nres)=c(:,nres)
c write (iout,*) "Exit READ_CART"
c write (iout,'(8f10.5)')
c & ((c(l,k),l=1,3),k=1,nres),
c & ((c(l,k+nres),l=1,3),k=nnt,nct)
call cartprint
+ do j=1,3
+ dc(j,0)=c(j,1)
+ enddo
do i=1,nres-1
do j=1,3
dc(j,i)=c(j,i+1)-c(j,i)
enddo
call bond_regular
call chainbuild_extconf
- else
+ else if (.not. start_from_model) then
if(me.eq.king.or..not.out1file)
& write (iout,'(a)') 'Random-generated initial geometry.'
call bond_regular
call getenv("FRAGFILE",fragfile)
open(ientin,file=fragfile,status="old",err=10)
read(ientin,*) constr_homology,nclust
+ nmodel_start=constr_homology
l_homo = .false.
sigma_theta=0.0
sigma_d=0.0