AMBER Archive (2009)

Subject: Re: [AMBER] Scripting tleap

From: Jio M (jiomm_at_yahoo.com)
Date: Mon Dec 07 2009 - 00:56:59 CST


Thanks for reply. I got it.

set command was executed, but was not "explicitly" seen. While Keeping
verbosity 2 all details are coming which tells about its execution

Thanks and regards;

JIomm

--- On Sun, 12/6/09, case <case_at_biomaps.rutgers.edu> wrote:

From: case <case_at_biomaps.rutgers.edu>
Subject: Re: [AMBER] Scripting tleap
To: "AMBER Mailing List" <amber_at_ambermd.org>
Date: Sunday, December 6, 2009, 8:11 PM

On Thu, Dec 03, 2009, Jio M wrote:
>
> I have some problem in using -f flag with tleap.
>
> I want to use set command(s) which are in .txt file. tleap "source" the
> text file but donot go beyond loading abc.lib
>
> loadoff abc.lib
> set b head b.1.N1
> set c head c.1.N1

How do you kow that the "set" commands are not being executed? They don't
produce any output, so you would have to use the "desc" command to see the
effect they have on your "b" and "c" units. What you describe above seems to
work fine for me.

You can also set "verbosity 2" in your input file, which will show you the
commands as they are being processed; you should then "see" the set commands
being executed.

.....dac

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