From: Guenegou, Guillaume [ORDFR] (GGUENEGO_at_ITS.JNJ.com)
Date: Tue Jul 19 2011 - 08:18:44 CDT

Dear all,

 

I am using the last release of VMD and I am a new user.

 

My goal is to visualize an amber trajectory with VMD. I manage to do it
with the GUI. But I would like to do it with command lines in a script.

The prmtop file loading is ok (mol new file.prmtop), but concerning the
trajectory file (.mdcrd), I do not know how to load it properly.

I use the command: mol addfile file.mdcrd

The problem is that the recognized file type is "AMBER coordinates" and
I need it to be "AMBER coordinates with periodic box".

Do I have to change the file extension or is there a way to specify the
wished file type?

 

 

I did not find anything about making a movie of a trajectory using
command lines (it is pretty easy with the GUI).

Is there a script/command lines to do this?

 

Thanks in advance,

G.GUENEGOU