VMD-L Mailing List

From: Maxim Belkin (mbelkin_at_ks.uiuc.edu)
Date: Fri Jan 29 2016 - 13:26:21 CST

package require solvate
solvate -minmax {{-50 -50 -50} {50 50 50}} -o water_box

> On Jan 29, 2016, at 13:17, Olya Kravchenko <ovkrav_at_gmail.com> wrote:
>
> Hi all,
>
> I would like to create a simple rectangular simulation box filled with
> spherical particles (such as Argon atoms) for testing purposes. What
> would be the easiest way to create such system? Is it even possible
> with vmd or namd?
>
> At this point, I can only think of using a solvate plugin and creating
> a box around small protein, then deleting the protein and
> equilibrating the box without it, but this doesn't seem optimal. Is
> there another plugin/method that would be more suitable?
>
> Thanks in advance!
>
> Olga