Re: AutoPSF charge generation

From: Srijita Paul (srijitap91_at_gmail.com)
Date: Tue Jul 09 2019 - 00:18:29 CDT

No, only topology file can be generated by VMD aotupsf. For small molecule
(atom number less than 80) you can use CGenFF software to generate charge
and other parameters.

On Sat, Jul 6, 2019 at 3:00 PM Adupa Vasista <adupavasista_at_gmail.com> wrote:

>
> Does AutoPSF in VMD generate charge for a Small organic molecule?
>
> *.*
>

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