VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Thu Nov 24 2011 - 14:48:44 CST

• Next message: Bjoern Olausson: "VMD never finishes reading vis. state file, stalls and hoggs CPU"
• Previous message: Axel Kohlmeyer: "Re: How to save Automatic psf builder script"
• In reply to: mail gromacs: "how to convert Desmond trajectories into PDB in text mode?"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

On Thu, Nov 24, 2011 at 2:09 PM, mail gromacs <mailmd2011_at_gmail.com> wrote:
> Hello:
>
>   I've got Desmond MD simulation trajectory and I would like to convert them
> into single .pdb file. Is it possible to convert it by VMD text mode or

that is a very bad idea. you will throw away a _lot_ of valuable information,
since .pdb files record coordinates with massively reduced accuracy.

> command?

yes, you can script it, or use catdcd. it still doesn't
make it a good idea that you can do it.

axel.

>
> Thank you very much
> Best wishes
>

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science and Technology
Temple University, Philadelphia PA, USA.

• Next message: Bjoern Olausson: "VMD never finishes reading vis. state file, stalls and hoggs CPU"
• Previous message: Axel Kohlmeyer: "Re: How to save Automatic psf builder script"
• In reply to: mail gromacs: "how to convert Desmond trajectories into PDB in text mode?"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]