do j=1,3
ff(j)=ff(j)+force(j,i)
enddo
- if (itype(i+1).ne.21) then
+ if (itype(i+1).ne.ntyp1) then
do j=1,3
stochforc(j,i)=stochforc(j,i)+force(j,i+nres+1)
ff(j)=ff(j)+force(j,i+nres+1)
ind=ind+1
ii = ind+m
iti=itype(i)
- gamvec(ii)=gamsc(iti)
+ gamvec(ii)=gamsc(iabs(iti))
enddo
if (surfarea) call sdarea(gamvec)
c if (lprn) then
include 'COMMON.INTERACT'
include 'COMMON.IOUNITS'
include 'COMMON.NAMES'
- double precision radius(maxres2),gamvec(maxres6)
+ double precision radius(maxres2),gamvec(maxres2)
parameter (twosix=1.122462048309372981d0)
logical lprn /.false./
c