amber-developers: -suffix option for sander?

From: David A. Case <case.scripps.edu>
Date: Thu, 9 Feb 2006 19:41:14 -0700

On Thu, Feb 09, 2006, Robert Duke wrote:

> 4) a new -suffix command line option. If you put -suffix 020906.1.4proc

> in the command line, then all the output files will have this appended
to
> the default name unless you explicitly specified a name for them on the
> command line. So this applies to mdout, mdinfo, mden, mdcrd, mdvel,
> restrt, and logfile (pmemd now permits logfile naming also with a -l
flag).
> This is a really simple, easy-to-use command line interface enhancement
you
> all may want to pick up for sander. The code is in get_cmdline.fpp for
> pmemd.

It sounds like a nice idea to me--it would get us a long way towards
having
a more standardized file nomenclature. I'm just posting this to the
developers' list to see if people have either objections or better ideas
along
this line.

...dac
Received on Wed Apr 05 2006 - 23:49:43 PDT
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