[gmx-users] Mentioning LJ Cutoff in mdp file

[Mark Abraham]

Hi,

What does the .mdp documentation say for rvdw-switch and rvdw?

Mark

On Tue, Mar 13, 2018 at 11:11 AM Tushar Ranjan Moharana <
tusharranjanmoharana at gmail.com> wrote:

> Hi Everyone,
> I want to use LJ interaction cutoff at 12 Å and treat LJ smoothly between
> 10 and 12 Å. Does the following in .mdp file reflect the same?
>
> rvdw-switch          = 0.2
> rvdw                 = 1
>
> Kindly Reply.
> Thanks a lot.
> --
> Tushar Ranjan Moharana
> B. Tech, NIT Warangal
> Ph D Student, CCMB
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