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 - 04:00:04 PDT
