VMD-L Mailing List

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Fri Apr 04 2014 - 02:44:48 CDT

Hi Marcela,

 

1. Does VMD actually load velocities from desmond? I don't know this
file format and never used it. I don't think VMD stores explicit velocities
anyway, as you can always load and threat them like coordinates.

2. The dcd format for velocities and coordinates doesn't differ, only
that veldcds doesn't contain the charmm extra block for holding the cell
size. Therefore if you are able to load your velocities to VMD like they
were coordinates, you are able to save them to whatever format you like.
Maybe this would require some scripting.

 

Norman Geist.

 

Von: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] Im Auftrag von
Marcela Madrid
Gesendet: Freitag, 4. April 2014 02:31
An: vmd-l_at_ks.uiuc.edu
Betreff: vmd-l: writing velocities from VMD

 

hi

 

How do I write velocities into a dcd file (or any other format) with VMD?

I am loading a trajectory in Desmond format, and I do not see the option

to write velDCD, I only seem successful in writing coordinates.

 Thanks so much!

Marcela

 

 

  

---
Diese E-Mail ist frei von Viren und Malware, denn der avast! Antivirus Schutz ist aktiv.
http://www.avast.com