c print '(20i4)',(itype(i),i=1,nres)
do i=1,nres
#ifdef PROCOR
- if (itype(i).eq.21 .or. itype(i+1).eq.21) then
+ if (itype(i).eq.ntyp1 .or. itype(i+1).eq.ntyp1) then
#else
- if (itype(i).eq.21) then
+ if (itype(i).eq.ntyp1) then
#endif
itel(i)=0
#ifdef PROCOR
#endif
nct=nres
cd print *,'NNT=',NNT,' NCT=',NCT
- if (itype(1).eq.21) nnt=2
- if (itype(nres).eq.21) nct=nct-1
-
-C Juyong:READ init_vars
-C Initialize variables!
-C Juyong:READ read_info
-C READ fragment information!!
-C both routines should be in dfa.F file!!
-
- if (.not. (wdfa_dist.eq.0.0 .and. wdfa_tor.eq.0.0 .and.
- & wdfa_nei.eq.0.0 .and. wdfa_beta.eq.0.0)) then
- call init_dfa_vars
- print*, 'init_dfa_vars finished!'
- call read_dfa_info
- print*, 'read_dfa_info finished!'
- endif
-C
-C
-
-
+ if (itype(1).eq.ntyp1) nnt=2
+ if (itype(nres).eq.ntyp1) nct=nct-1
if (pdbref) then
if(me.eq.king.or..not.out1file)
& write (iout,'(a,i3)') 'nsup=',nsup