AMBER Archive (2009)

Subject: Re: [AMBER] secstruct

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Thu Feb 19 2009 - 08:45:47 CST

correct, the SUM file gives average % over the trajectory of each sec
structure type for each residue .
sorry for any confusion from my previous reply, I missed that he was
asking about the sum file, not the normal file.

On Thu, Feb 19, 2009 at 9:17 AM, Maxime Louet
<maxime.louet_at_etudiant.univ-rennes1.fr> wrote:
> Hi
>
> I think it's percentage of all types of structures along the trajectory.
>
> Maxime
>
>
>> Date: Thu, 19 Feb 2009 07:22:20 -0600
>> From: jbeale_at_stlcop.edu
>> To: amber_at_ambermd.org
>> Subject: [AMBER] secstruct
>>
>> What do the numerals in the secstruct.sum file created by using
>> "secstruct" in ptraj signify?
>>
>>
>>
>> John Beale
>>
>>
>>
>> John M. Beale, Ph,D,
>>
>> Associate Professor of Medicinal Chemistry
>>
>> St. Louis College of Pharmacy
>>
>> 4588 Parkview Place
>>
>> St. Louis, Missouri 63110
>>
>> (314)-446-8461
>>
>> Cell: (314)-315-0409
>>
>> FAX (314) 446-8460
>>
>> jbeale_at_stlcop.edu
>>
>>
>>
>>
>>
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>
>
>
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