VMD-L Mailing List
From: Edward Lyman (edward.lyman_at_gmail.com)
Date: Fri Feb 22 2013 - 09:19:43 CST
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Hi all,
I found a very helpful post about running a volmap calc with pbc, from last
year:
http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/20684.html
I can get the periodic version of the calc to start up, but I get the
'illegal parameter' message mentioned at the bottom of the post. I tried
manually setting the grid for the calc to +/- 1/2 the box dimensions, but I
still get the error. If anyone can offer some input, I'd be grateful.
Best,
Ed Lyman
- Next message: Daniel Klose: "measure fit rotation matrix convention"
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- Reply: John Stone: "Re: setting up the grid for periodic coulomb volmap calc"
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