[gmx-users] Invoking parameters at startup

Justin A. Lemkul jalemkul at vt.edu
Sat Nov 14 00:56:49 CET 2009

Jack Shultz wrote:
> I am trying to specify protein and LIG as groups when I start certain
> analysis programs. I want to run this as part of a script. For
> example, if I want to run g_rms it will prompt me to specify the two
> groups we want to compare. I want to specify the groups when I start
> the app. Other than re-writing the command arguments in the app, is
> there a way to pass those parameters at startup?

Something like this?




Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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