RE: run MD simulation in NAMD using stages file strategy or allin one file ?

From: soroush ziaei (soroush.ziaei7337_at_gmail.com)
Date: Sat Jan 26 2019 - 14:26:04 CST

Hi,
It’s better to use different conf files. Please look at below;
This file that I provided contains log files for each step after running is complete.
By the way, Log file contains all of the information about your parameter that has been used or if your simulation terminated with an error, this file can warn you about the problem.

Good luck

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From: L-
Sent: Thursday, December 13, 2018 7:43 PM
To: namd-l_at_ks.uiuc.edu
Subject: namd-l: run MD simulation in NAMD using stages file strategy or allin one file ?

if i want to run MD simulation in NAMD in 1 or 2 or 100 ns.
What is the difference between run your simulation in steps"satges" in different conf files ( minimization file then Heat, Equilibration and production stages) 
or 
all step in one file "see attached file " 
this is my conf file i tray to flow the sample conf file at web, dose this file ruining MD ?
is this will affect the data analysis ,if yes and what exactly.  

thank you 


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