That confirms what I thought. Thanks, Carlos.
On Wed, Oct 6, 2010 at 4:39 AM, Carlos Simmerling <
carlos.simmerling.gmail.com> wrote:
> amber does not calculate elec or vdw for atoms involved in bonds or angles.
>
>
>
> On Wed, Oct 6, 2010 at 3:11 AM, Dian Jiao <oscarjiao.gmail.com> wrote:
>
> > Hi,
> >
> > I was running simulations of a single water molecule in gas phase and
> > noticed that the EELEC and VDWAALS energies are both 0.0000 for each
> frame.
> > Why isn't there any electrostatic or van der Waals intra-molecular energy
> > for water molecular? Thanks.
> >
> > D
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Received on Wed Oct 06 2010 - 08:30:12 PDT
