From: Josh Vermaas (joshua.vermaas_at_gmail.com)
Date: Sun Jul 05 2020 - 14:51:48 CDT
If I do something, I do it for everyone, so I've now put the scripts on
github. https://github.com/jvermaas/solventboxgeneration This is what I
used for my own research to solvate lignin in all kinds of organic
solvents, so I do know that it works, but I haven't prettied up the scripts
very much to make the generally usable, so I welcome pull requests.
On Sun, Jul 5, 2020 at 1:09 PM James T. Metz <jamestmetz_at_aol.com> wrote:
> Hello. I just noticed your post on the NAMD email list concerning
> to generate initial boxes of solvents. I would be thankful if you would
> willing to email me your script. Thank you.
> Jim Metz
> James T. Metz, Ph.D.
> President, Metz Research LLC
> 422 Cross Road
> Gurnee, IL 60031
> (847) 263 - 1514
> Please leave a message if you want a return call.
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