What is the syntax for 'remlog' analysis command in cpptraj and how I will run it using my rem.log file ?
Manas
> -----Original Messages-----
> From: "Daniel Roe" <daniel.r.roe.gmail.com>
> Sent Time: 2017-12-15 22:38:10 (Friday)
> To: "AMBER Mailing List" <amber.ambermd.org>
> Cc:
> Subject: Re: [AMBER] HREMD run
>
> Hi,
>
> Exchange acceptance is printed in the HREMD log, the very last column.
>
> You can also use the 'remlog' analysis command from cpptraj to
> calculate the exchange acceptance from 1 or more rem logs.
>
> -Dan
>
>
> On Thu, Dec 14, 2017 at 8:47 PM, Dr. MANAS MONDAL <manas.pku.edu.cn> wrote:
> > Hi,
> > Please let me help by giving me the information about how can I calculate the Exchange acceptance ratio from the output log file (rem.log) of the HREMD run. I am waiting for your response.
> > Thanking you.
> > Manas
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>
>
> --
> -------------------------
> Daniel R. Roe
> Laboratory of Computational Biology
> National Institutes of Health, NHLBI
> 5635 Fishers Ln, Rm T900
> Rockville MD, 20852
> https://www.lobos.nih.gov/lcb
>
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Received on Mon Dec 18 2017 - 03:30:04 PST
