Re: [AMBER] HREMD run

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Mon, 18 Dec 2017 13:50:19 -0500

See the Amber 17 manual, 28.10.25. remlog (page 670-671) for command
syntax, details, and examples.

-Dan

On Mon, Dec 18, 2017 at 6:28 AM, Dr. MANAS MONDAL <manas.pku.edu.cn> wrote:
>
> 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
>> > _______________________________________________
>> > AMBER mailing list
>> > AMBER.ambermd.org
>> > http://lists.ambermd.org/mailman/listinfo/amber
>>
>>
>>
>> --
>> -------------------------
>> 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
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber



-- 
-------------------------
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 - 11:00:03 PST
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