VMD-L Mailing List

From: NG HUI WEN (HuiWen.Ng_at_nottingham.edu.my)
Date: Tue Aug 24 2010 - 00:08:49 CDT

Thanks a lot for the suggestion guys, much appreciated! Indeed I loaded
the structure and trajectory files separately. Got it to work now.
Cheers!!

 

HW

 

From: Tim Travers [mailto:tstravers_at_gmail.com]
Sent: Tuesday, August 24, 2010 12:26 PM
To: NG HUI WEN
Cc: vmd-l_at_ks.uiuc.edu
Subject: Re: vmd-l: Structure won't move after loading trajectory

 

> I have a structure NVT.gro and a trajectory NVT.trr (500 frames).
After loading

> the structure through file > new molecule > "browse" in molecule file
browser,

> I did the same thing to load the trajectory.

Hi there,

 

Based on the above statement, it seems that you loaded the structure and

trajectory files as two separate molecules. What you want to do is load
the

trajectory such that its frames are "added" to the structure file. The
following

section of the VMD user's guide:

 

http://www.ks.uiuc.edu/Research/vmd/current/ug/node41.html

 

should indicate how to do this; the key here is setting the "Load files
for:"

field. The result should be that both files will be loaded into VMD as
one

molecule, and not as two separate molecules.

 

Hope this helps,

Tim

 

 

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