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.
Regards,
RPS
Get Outlook for Android<https://urldefense.com/v3/__https://aka.ms/ghei36__;!!DZ3fjg!vrgVBqtMmgoUULzcCyouJL5QtkVTHxBaefJa8qknVVFu0-biOEFeTY09kDyH2P1-fg$ >
________________________________
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
Dear All,
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.
Regards,
Raman
This archive was generated by hypermail 2.1.6 : Fri Dec 31 2021 - 23:17:10 CST