[gmx-users] how to compile and make a C analyzing code under GROMACS 5.0

[Teemu Murtola]

Hi,

On Mon, Jul 28, 2014 at 7:45 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> On Mon, Jul 28, 2014 at 6:05 PM, qiaobf <qiaobf at gmail.com> wrote:
> >  2) If the line with "sqrt" function is commented out, the g_density2 can
> > be successfully generated. however, the "./g_density2 -h" is not working
> to
> > display the help contents. Could you please give me some suggestions?
>
> Things change. ;-) If you're deliberately bypassing the new wrapper binary,
> then you won't get the functionality it supports, like the new help module
> output.
>

There is also some information here:
<
http://jenkins.gromacs.org/job/Doxygen_Nightly_master/javadoc/html-user/page_usinglibrary.xhtml
>
It is not very explicit, but if you follow the links for gmx_run_cmain()
and parse_common_args() from there, you will probably find a solution at
least to the -h problem.

Best regards,
Teemu