RE: heat annealing conf file

From: Ada Zhan (zyqfrog10_at_msn.com)
Date: Thu Jun 02 2011 - 14:02:06 CDT

Hi, M,

Put this patch into your configuration file:

# INITIAL TEMPERATURE

 
temperature 0.0

reassignFreq 1

reassignIncr 0.001

reassignHold 300

Best,
Ada
Date: Thu, 2 Jun 2011 11:26:17 +0100
From: moleculardynamics_at_yahoo.com
Subject: namd-l: heat annealing conf file
To: namd-l_at_ks.uiuc.edu

Dear NAMD users,

I want to run heat
annealing from 0°K to 300°K , but I couldn’t find a coorect namd conf
file for this issue . Could you please help me to find a correct example conf file for heat annealing ?

Thanks in advance

M

                                               

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