AMBER Archive (2003)

Subject: AMBER: MD: restrt

From: L Jin (s0344557_at_sms.ed.ac.uk)
Date: Fri Dec 19 2003 - 04:47:55 CST

Hi,

If I want to run a second MD with the previous restrt file as input, what is the
difference in the results with the following two situation?

*set irest=1 & ntx=5 with velocity
*set irest=0 no velocity

Is it just the difference of the first run with or without velocity? Or all the
subsequent output result of energy and other parms are all different? I just
wonder what kinds of parms this irest affects? Thank you very much.

Lan

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