VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Jun 21 2017 - 13:04:40 CDT

On Wed, Jun 21, 2017 at 1:20 PM, Qinghua Liao <scorpio.liao_at_gmail.com>
wrote:

> Hello,
>
> I have used psfgen in vmd to generate the psf file of my protein, then I
> want to convert the psf file to top file with topotools,
> but I failed.
>
> I used these commands:
>
> package require topotools
> mol load psf ubq.psf pdb ubq.pdb
> topo writegmxtop ubq.top [list ../../common/par_all27_prot_lipid.inp]
>
> then I got the error of " *invalid command name "..." *"
>
> But if I remove [list ../../common/par_all27_prot_lipid.inp ], then I can
> get the gmx top file, but it does not have all the parameters
> for the topology file. Could someone give me some tips? Thanks a lot!
>

​please upgrade to the latest version of the topotools plugin. yours seems
to have a bug that has already been fixed.

in between VMD releases, you can find updated topotools versions with
bugfixes at the URL below.
the latest update was on april 13th, 2017

https://sites.google.com/site/akohlmey/software/topotools

​please let us know, if the ​problem persists.

thanks,
​ ​
​axel.​

>
>
> All the best,
> Qinghua
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.