VMD-L Mailing List
From: Ioana Cozmuta (ioana_at_nas.nasa.gov)
Date: Tue Mar 23 2004 - 21:51:10 CST
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Hello,
Is there a standard procedure to calculate residence times of ions around
certain amino acids from MD trajectories? Does anyone have a script
already written to do that? Or is it up to each individual how to define
and calculate such a quantity?
Thank you,
Ioana
******************
Ioana Cozmuta, PhD
Research Scientist Eloret Corporation
Mail Stop 230-3
NASA AMES Research Center
Moffet Field, CA 94035-1000
Phone: (650) 604-0993
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