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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Mar 24 2004 - 04:53:00 PST
