Hi,
In order to don't perform replica exchange attempts, just remove the -rem flag and don't state the numexchg variable inside your mdin files.
Best,
Vinícius Wilian D Cruzeiro
PhD Candidate
Department of Chemistry, Physical Chemistry Division
University of Florida, United States
Voice: +1(352)846-1633
________________________________
From: RITUPARNA ROY <ritup176122023.iitg.ac.in>
Sent: Monday, June 25, 2018 10:56:07 AM
To: AMBER Mailing List
Subject: [AMBER] Problem regarding running independent parallel simulations in AMBER14 using -rem<#>
Hi,
The value 0 in flag -rem <#> is allowed in AMBER12, but not in AMBER14. So, how to run multiple independent parallel simulation using Multisander in AMBER14 for equilibration?
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Received on Mon Jun 25 2018 - 08:30:02 PDT
