Thank you
On Tue, 17 Dec, 2024, 10:46 pm Masoud Keramati, <keramati.m.northeastern.edu>
wrote:
> 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 - 11:00:02 PST
