AMBER: Identifying water molecules with ptraj

From: Joseph Fernandez <joefern9999.yahoo.com>
Date: Sun, 1 May 2005 14:00:59 -0700 (PDT)

I need to identify the atom ID of the oxygen atom of
each water molecule that comes within a certain
distance of an atom in a protein, over the course of a
trajectory. Is this feasible with ptraj?

Joe

__________________________________________________
Do You Yahoo!?
Tired of spam? Yahoo! Mail has the best spam protection around
http://www.rosswalker.co.uk/adsense_alternatives/
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun May 01 2005 - 22:53:00 PDT
Custom Search