[gmx-users] how to use gromacs 4.5.5's temple?

[Mark Abraham]

On 12/25/2011 9:44 PM, ?? wrote:
> Dear teacher,
> how to use gromacs 4.5.5's  temple?

I expect that it is not meant to be functional. It's meant to be a 
template from which you can write functional code without having to work 
too hard on making it work like GROMACS tools work.

Mark

>
> i make the temple successful! And when i run it (./template -f 
> traj.xtc -s water.tpr -cutoff 2),
> the output like this:
>
> "
> Reading file water.tpr, VERSION 4.5.5 (single precision)
> Reading file water.tpr, VERSION 4.5.5 (single precision)
>
> Specify a reference selection:
> (one selection per line, 'help' for help)
> > help
> SELECTION HELP
>
> This program supports selections in addition to traditional index files.
> Please read the subtopic pages (available through "help topic") for more
> information. Explanation of command-line arguments for specifying 
> selections
> can be found under the "cmdline" subtopic, and general selection syntax is
> described under "syntax". Available keywords can be found under 
> "keywords",
> and concrete examples under "examples". Other subtopics give more 
> details on
> certain aspects. "help all" prints the help for all subtopics.
>
> Available subtopics:
>   cmdline  syntax  positions  arithmetic  keywords  evaluation 
>  limitations
>   examples
> >
>
> "
>
>
> thanks!!
> Regards,
> Bodu
> Department of Polymer Science and Engineering,
> School of Chemical Engineering and technology,
> Tianjin University, Weijin Road 92, Nankai District 300072,
> Tianjin City P. R. China
> Tel/Fax: +86-22-27404303 ; +8613820062885
> E-mail: 2008dubo at gmail.com <mailto:2008dubo at gmail.com> ; 
> dubo2008 at tju.edu.cn <mailto:dubo2008 at tju.edu.cn>
>
>


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