From: Raman Preet Singh (ramanpreetsingh_at_hotmail.com)
Date: Fri Feb 12 2021 - 04:35:31 CST
Dear NAMD Community,
Reposting the question in case someone might help me.
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From: Raman Preet Singh
Sent: Monday, January 18, 2021 11:46:42 PM
To: NAMD list <namd-l_at_ks.uiuc.edu>
Subject: Maximum and minimum box size
I am interested in performing a simulation where one of the box dimensions is expected to reach 50 nm. I have seen publications with 20+ nm water box sides but not sure if 50 nm or higher dimensions are supported in NAMD. I will be using MARTINI CG models. If 50 nm is supported, do I need to make any changes in the NAMD conf file?
A related question is: what is the minimum box size supported? A 1 nm distance from the sides of the solute is the ideal situation. However, if it is just a solvent box, what is the minimum supported size (for AA and CG models)?
Thank you in advance for your time and inputs.
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