Re: [AMBER] long range LJ correction; surface tension; trajectory

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Fri, 15 Jun 2012 06:41:09 -0400

it does not change the force since the correction is the same from all
directions, and the net force cancels.

On Fri, Jun 15, 2012 at 2:53 AM, MD <ptf1242.163.com> wrote:
> Dear Developer,
>
>
>
> I have to include Long range correction for surface tension. However when i turn on or off the vdwmeth=1, the surface tension and trajectory will never change; and by using vdwmeth=1
>
> It may not affect the force, thus no change in surface tension. which means the correction showed the energy beyond cut-off and the correction keep constant during the simulation. And the trajectory also did not change by turning on or off the correction.
>
>
>
> I use AMBER 9. Can anyone know is there a version that include long LJ force?
>
>
>
> Thanks
>
> TF
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Received on Fri Jun 15 2012 - 04:00:04 PDT
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