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From: Sindrila Dutta Banik (sindrila_at_iitk.ac.in)
Date: Wed Feb 27 2013 - 00:35:46 CST
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Dear all,
I want to save the coordinates of water molecules which are within 5A of
substrate PPD from my trajectory. for this I use following:
same residue as (water within 10 of resname PPD)
But the number of water within 5 is changing as I am repeating the same
exercise. Why this problem comes? Shall I am doing something wrong?
with best regards
sindrila
-- Sindrila Dutta Banik C/O Prof. A. Chandra Project Scientist Department of Chemistry IIT Kanpur UP 208016 -- Sindrila Dutta Banik C/O Prof. A. Chandra Project Scientist Department of Chemistry IIT Kanpur UP 208016
- Next message: Francesco Pietra: "About PLUMED with NAMD VMD"
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