[gmx-users] Repeating the simulation
#NGUYEN CONG TRI#
NGUY0045 at ntu.edu.sg
Thu Nov 6 08:29:36 CET 2008
Dear Yi Huan,
I think if you want you can run different simulations with different initial configurations to see whether the final structure is sensitive to initial configuration or not. I don't see any point in repeating the same simulation with the same initial configuration.
I hope this help.
From: gmx-users-bounces at gromacs.org on behalf of Q. Y. HUAN
Sent: Thu 11/6/2008 3:25 PM
To: help me!!
Subject: [gmx-users] Repeating the simulation
Dear all gmx-users and developers,
I have completed a simulation, and get all the results. Just asking you guys for your opinion whether I should repeat the simulation again 1 or 2 times in order to make sure the simulation results are valid for my work even thought I have equilibrate my system before running the production simulation or I just need to do it ONCE?
Thanks for any comments and suggestions.
QIU YI HUAN
DEPARTMENT OF CHEMISTRY,
FACULTY OF SCIENCE,
UNIVERSITY PUTRA MALAYSIA,
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