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?
http://www.gromacs.org/Documentation/How-tos/Making_Commands_Non-Interactive
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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