[gmx-users] Invoking parameters at startup

[Jack Shultz]

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?
>
> 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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-- 
Jack

http://drugdiscoveryathome.com
http://hydrogenathome.org