integer troll
eps_out=80.0d0
escbase=0.0d0
- do i=1,nres_molec(1)
+! do i=1,nres_molec(1)
+ do i=ibond_start,ibond_end
if (itype(i,1).eq.ntyp1_molec(1)) cycle
itypi = itype(i,1)
dxi = dc_norm(1,nres+i)
integer troll
eps_out=80.0d0
epepbase=0.0d0
- do i=1,nres_molec(1)-1
+! do i=1,nres_molec(1)-1
+ do i=ibond_start,ibond_end
if (itype(i,1).eq.ntyp1_molec(1).or.itype(i+1,1).eq.ntyp1_molec(1)) cycle
!C itypi = itype(i,1)
dxi = dc_norm(1,i)
integer troll
eps_out=80.0d0
escpho=0.0d0
- do i=1,nres_molec(1)
+! do i=1,nres_molec(1)
+ do i=ibond_start,ibond_end
if (itype(i,1).eq.ntyp1_molec(1)) cycle
itypi = itype(i,1)
dxi = dc_norm(1,nres+i)
integer troll
real (kind=8) :: dcosom1(3),dcosom2(3)
epeppho=0.0d0
- do i=1,nres_molec(1)
+! do i=1,nres_molec(1)
+ do i=ibond_start,ibond_end
if (itype(i,1).eq.ntyp1_molec(1)) cycle
itypi = itype(i,1)
dsci_inv = vbld_inv(i+1)/2.0