[gmx-users] Choice of value of rlist, rvdw and rcoulomb

Amit Choubey kgp.amit at gmail.com
Fri Feb 26 20:36:26 CET 2010


Hi Lum,

These values have to be chosen very icarefully.
Many artifacts can show up due to poorly chosen cutoff. I would suggest to
get the parameters from a reproducible publication or something.

amit

On Fri, Feb 26, 2010 at 8:49 AM, Lum Nforbi <lumngwegia at gmail.com> wrote:

> Hi all,
>
>   Please, can someone let me know if the choice of the value of rlist, rvdw
> and rcoulomb is related to or depends in someway to the distance between
> atoms on a lennard-jones potential plot?
>
> I appreciate your answers.
>
> Lum
>
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