AMBER Archive (2008)

Subject: AMBER: FW: MD run time inquiry

From: Campbell, Patrick (pcampbell_at_msm.edu)
Date: Thu Mar 27 2008 - 05:13:00 CDT

 

________________________________

From: Campbell, Patrick
Sent: Wed 3/26/2008 10:18 PM
To: amber_at_scripps.edu
Subject: MD run time inquiry

A pleasant good day to you all,
 
I am currently doing an MD simulation, following on the example of Dr. Matt Lee (Loop dynamics of the HIV-1 integrase core domain) on the AMBER scripps site. Thus far, I have done a simulation for 300 picoseconds and will be looking to extend this time to 1.1 nanoseconds. My question is this - is there an established amount of time that would be deemed as sufficient for this simulation to run, such that the results will be acceptable for publication?
 
Thanks again for all your assistance and do have a great day!
Patrick
 
 

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