VMD-L Mailing List

From: Maxim Belkin (mbelkin_at_ks.uiuc.edu)
Date: Sat Aug 16 2014 - 02:13:03 CDT

Ashar, you can do what you want in "Step 1" section of AutoPSF plugin window (Extension -> Modeling -> Automatic PSF builder).

Maxim

On Aug 15, 2014, at 9:23 PM, Ashar Malik <asharjm_at_gmail.com> wrote:

> Hi,
>
> I work with VMD 1.9.1 and want to know how to change the topology files that VMD uses when I am using the AutoPSF generate plugin.
>
> I want to update those files to match the latest files available with the most recent CHARMM36 release.
>
> VMD 1.9.1
>
> VMD\plugins\noarch\tcl\readcharmmpar1.2
>
> currently holds an old release of the files.
>
> I want to add the new topology files here and parameters files to readcharmmpar1.2 so that i can work with the most optimized values.
>
> --
> Best,
> /A