VMD-L Mailing List
From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Thu Jul 26 2007 - 07:26:09 CDT
- Next message: Peter Freddolino: "Re: nonstandard solvate + cyclic peptides in explicit DMSO box + gofr"
- Previous message: sally cii: "Re: how to wrap trajectory into truncated octahedral box"
- In reply to: Hazai Eszter: "Rotation matrix translatin vector vmd"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Hi Ester,
you should be able to use something like the script discussed at
http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l/3545.html,
which calculates the 4x4 translation/rotation matrix for each frame
compared to the first and then applies it.
Best,
Peter
Hazai Eszter wrote:
> Dear all,
>
> I would like to get all translation vector and rotation matrix of a
> molecule from all frames from a GROMACS run as compared to the first
> frame/ previous frame.
> Can anyone help?
>
> Thank you in advance
>
>
> Eszter Hazai, PhD
>
> CEO, Virtuarug Ltd
>
> Csalogany u. 4/c H-1015
>
> Budapest, Hungary
>
> Web: www.virtuadrug.com
>
> Skype: eszter.hazai
>
>
>
>
- Next message: Peter Freddolino: "Re: nonstandard solvate + cyclic peptides in explicit DMSO box + gofr"
- Previous message: sally cii: "Re: how to wrap trajectory into truncated octahedral box"
- In reply to: Hazai Eszter: "Rotation matrix translatin vector vmd"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
