mgridforce

From: Karim Elsawy (karimelsawy_at_yahoo.com)
Date: Fri Oct 09 2009 - 09:07:32 CDT

it is not quite clear to me whether the input grid for the mgridforce module represents electrostatic potential ( i.e energy ) or force ( i.e energy derivative ).
if the grid represents potential, is it correct to interpret the energy component under MISC as :
MISC=sum_i ( q_i * potential_at_interpolated_grid_point )

Many Thanks

--- On Thu, 10/8/09, Gianluca Interlandi <gianluca_at_u.washington.edu> wrote:

> From: Gianluca Interlandi <gianluca_at_u.washington.edu>
> Subject: Re: namd-l: nonbonded potential
> To: "BIN ZHANG" <bingo_at_its.caltech.edu>
> Cc: namd-l_at_ks.uiuc.edu
> Date: Thursday, October 8, 2009, 10:24 PM
> Coulomb
>
> On Wed, 7 Oct 2009, BIN ZHANG wrote:
>
> > Dear all:
> >
> > Except for LJ potential, is there any other type of
> nonbonded potentials
> > implemented in NAMD?
> >
> > Thanks,
> > Bin
> >
> >
> >
> >
> >
> >
> >
> >
> ------------------------------------------------------
> > BIN ZHANG,           
>         |  Email :
> zhngbn_at_gmail_dot_com
> > CCE, Caltech           
>       |  Phone : 626-395-5841
> >
> >
> >
>
>

      

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