Dear Mr. Swails,
>You were very close to finding it. "grep" is a useful tool here -- look for
"amopen" and MDCRD_UNIT in the >src/sander folder:
>$ grep -n MDCRD_UNIT * | grep amopen
>dynlib.F90:167:! call amopen(MDCRD_UNIT,mdcrd,owrite,'F',facc)
>dynlib.F90:168: call amopen(MDCRD_UNIT,mdcrd,'U','F',facc)
Thank you for advices!
"grep" is really useful..
Yours sincerely,
Ikuo KURISAKI
PS
I'm so sorry for typo..
-----Original Message-----
From: Jason Swails [mailto:jason.swails.gmail.com]
Sent: Sunday, April 07, 2013 9:43 PM
To: AMBER Mailing List
Subject: Re: [AMBER] where does sander open the output files?
On Sun, Apr 7, 2013 at 4:20 AM, kurisaki < kurisaki.ncube.human.nagoya-u.ac.jp>
wrote:
> Dear Amber Developers and users.
>
> Would you let me know
> Which subroutine opens output files; mdcrd, mdout etc.
>
> I searched "MDCRD_UNIT", a device number for MD trajectory, But I
> cannot find file open commands in "sander.F90" and "mdrun.F90", at
> least
>
> Some "call amopen" are found but the device number are not for these
> output files except MDINFO with 7 of divice number.
>
You were very close to finding it. "grep" is a useful tool here -- look for
"amopen" and MDCRD_UNIT in the src/sander folder:
$ grep -n MDCRD_UNIT * | grep amopen
dynlib.F90:167:! call amopen(MDCRD_UNIT,mdcrd,owrite,'F',facc)
dynlib.F90:168: call amopen(MDCRD_UNIT,mdcrd,'U','F',facc)
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Sun Apr 07 2013 - 06:30:03 PDT
