From: Peter Freddolino (petefred_at_ks.uiuc.edu)
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
>>
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