Re: [AMBER] Accelerated Molecular Dynamics (aMD)

From: Masoud Keramati via AMBER <amber.ambermd.org>
Date: Tue, 17 Dec 2024 17:15:58 +0000

Look at this:

pmemd [-O] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -frc mdfrc -e mden -inf mdinfo -l logfile] [-amd amdlog_name -gamd gamdlog_name -scaledMD scaledMDlog_name -suffix output_files_suffix]



Best,

Masoud

________________________________
From: Dulal Mondal via AMBER <amber.ambermd.org>
Sent: Tuesday, December 17, 2024 03:18
To: AMBER Mailing List <amber.ambermd.org>
Subject: [AMBER] Accelerated Molecular Dynamics (aMD)

Dear Experts,
I want to run amd in amber24. I need to run 1000 ns amd run. But due to a 3
days run limitation, I ran amd simulation of 10 ns. From this 10 ns run a
amd.log file is generated. But when I restart the run amd.log file is
replaced. How do I change the name in the log file? 

--
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*
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Received on Tue Dec 17 2024 - 09:30:02 PST
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