! Don't do glycine or ends
i=itype(res_pick,1)
- if (i.eq.10 .or. i.eq.ntyp1) return
+ if (i.eq.10 .or. i.eq.ntyp1 .or. molnum(res_pick).eq.5) return
! Freeze everything (later will relax only selected side-chains)
mask_r=.true.
nres_moved=0
do i=2,nres-1
! Don't do glycine (itype(j,1)==10)
- if (itype(i,1).ne.10) then
+ if ((itype(i,1).ne.10).and.(itype(i,1).ne.ntyp1) &
+ .and.(molnum(i).ne.5)) then
sc_dist=dist(nres+i,nres+res_pick)
else
sc_dist=sc_dist_cutoff