Rule of thumb for equilibration

From: Stephan Grein (grein_at_informatik.uni-frankfurt.de)
Date: Mon Jul 28 2014 - 09:45:43 CDT

Dear NAMD users,

is there a rule of thumb how long one should equilibrate, i. e. when we
coax the system to the desired simulation/productive period of the MD
simulation?
For no reason I use a minimize #steps of 100 as suggested in the NAMD
tutorial.

Best,
Stephan

This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:22:40 CST