Re: vmd-l: namdenergy plugin

From: Peter Freddolino (
Date: Mon Jul 10 2006 - 00:08:12 CDT

(For what it's worth, to answer your latter question, I have indeed
tried using the text interface with the latest version of VMD, and it
worked ok for me, hence my confusion :)

> Chandra Ramananjara wrote:
>> Hi all,
>> I am having some trouble with the namdenergy plugin. I am using the
>> text interface (called using the command 'vmd -dispdev text' ) of
>> VMD 1.8.4 (2006-04-16) which is the latest version of VMD. I issue
>> the 'package require namdenergy' command and load a psf and dcd file
>> with 11 frames. I select the two groups of atoms whose interaction
>> energies I am interested in calculating and then run namdenergy. I
>> notice namdenergy only does the energy calculation for the first
>> frame. The energies for subsequent frames are all 0, which is wrong.
>> Also, it lists 12 frames, which is strange. My dcd file has only 11.
>> Any suggestions as to what the problem might be ? Has anyone tried to
>> run namdenergy using the text interface of the latest version of VMD ?
>> Thanks,
>> Chandra
>> __________________________________________________
>> Do You Yahoo!?
>> Tired of spam? Yahoo! Mail has the best spam protection around

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:43:48 CST