[gmx-users] Invoking parameters at startup
js at drugdiscoveryathome.com
Sat Nov 14 01:03:44 CET 2009
Ah yes thanks I came up with it after a little more testing.
c:\ProgramData\BOINC\slots\4>echo LIG protein | g_rms.exe -s md.tpr -f md.xtc -n
index.ndx -nice 19
On Fri, Nov 13, 2009 at 6:56 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> 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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