Re: Heating in NAMD

From: Babban Mia (babbanmia_at_gmail.com)
Date: Sat Aug 20 2011 - 05:37:53 CDT

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Thanks Erik
I am also using a langevin Pressure Piston so does the langevinPistonTemp
has to be set at final temperature desired(i,e reassignHold temperature)
while heating the system?
or while heating takes places both the langevin thermostat and piston are
kind of turned off or something.

I am using the second method of the following script :
http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l/8204.html

i.e :

reassignFreq 5
reassignTemp 0
reassignIncr 1
reassignHold 310

Please advise.

Best
Babban

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