namdenergy plugin

From: Chandra Ramananjara (mozart20d_at_yahoo.com)
Date: Sun Jul 09 2006 - 23:47:10 CDT

• Next message: Peter Freddolino: "Re: vmd-l: namdenergy plugin"
• Previous message: surendra negi: "RE: OXT in pdb file"
• Next in thread: Peter Freddolino: "Re: vmd-l: namdenergy plugin"
• Reply: Peter Freddolino: "Re: vmd-l: namdenergy plugin"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

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
http://mail.yahoo.com

• Next message: Peter Freddolino: "Re: vmd-l: namdenergy plugin"
• Previous message: surendra negi: "RE: OXT in pdb file"
• Next in thread: Peter Freddolino: "Re: vmd-l: namdenergy plugin"
• Reply: Peter Freddolino: "Re: vmd-l: namdenergy plugin"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:42:19 CST