VMD-L Mailing List
From: gökçe ayþe güven (gguvenster_at_gmail.com)
Date: Tue May 01 2012 - 16:14:24 CDT
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Hi all,
I have 400ns simulation for 1mrp protein system and after 140ns half of my
protein system moves out of the PBC cell, for that reason, -for specific
frames- distance between 2 selected atoms (Fe iron and Glu residue CA atom)
jumps 60 angstrom in 2ps which is impossible. In short, I want to keep my
protein at the center of my PBC cell for all frames. I tried moveby,
pbctools, etc. but they didn't work. Could anybody help me please?
-- Gökçe Ayşe Güven
- Next message: Axel Kohlmeyer: "Re: Make "Load all at once" the default? Adding representations?"
- Previous message: Heather Mayes: "Make "Load all at once" the default? Adding representations?"
- Next in thread: Axel Kohlmeyer: "Re: Problem with moving protein for all frames"
- Reply: Axel Kohlmeyer: "Re: Problem with moving protein for all frames"
- Reply: Jeffrey Potoff: "Re: Problem with moving protein for all frames"
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