call zerograd
call chainbuild
cd write (iout,*) 'ETOTAL called from FUNC'
- call egb1(evdw)
- call esc(escloc)
- f=wsc*evdw+wscloc*escloc
-cd call etotal(energia(0))
-cd f=wsc*energia(1)+wscloc*energia(12)
+c1 call egb1(evdw)
+c1 call esc(escloc)
+c1 f=wsc*evdw+wscloc*escloc
+ call etotal(energia(0))
+ f=wsc*energia(1)+wscloc*energia(12)
cd print *,f,evdw,escloc,energia(0)
C
C Sum up the components of the Cartesian gradient.