enddo
endif
enddo
- call check_ecartint
+! call check_ecartint
call sumsl(k,d,x,func_dc,grad_dc,iv,liv,lv,v,idum,rdum,fdum)
- call check_ecartint
+! call check_ecartint
k=0
do i=1,nres-1
do j=1,3
eps3der=evdwij*eps2rt
evdwij=evdwij*eps2rt*eps3rt
evdw=evdw+evdwij
- if (wliptran.gt.0.0) print *,"WARNING eps_aq used!"
+! if (wliptran.gt.0.0) print *,"WARNING eps_aq used!"
if (lprn) then
sigm=dabs(aa_aq(itypi,itypj)/bb_aq(itypi,itypj))**(1.0D0/6.0D0)
epsi=bb_aq(itypi,itypj)**2/aa_aq(itypi,itypj)