Minimization at higher temperature

From: Rabab Toubar (
Date: Thu Jun 03 2010 - 14:08:37 CDT


Can we possibly minimize the structure at a higher temperature like 500K?
I minimzed, heater the system from 0 to 300K, equilibrated it, then heated it 300 - 500K. Can I minimize the same system at this final temperature 500K in order to run NPT simulations afterwards? or I would need to min, heat to 500, equil then to the production step


Rabab Toubar


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