[gmx-users] Can Gromacs functions be called by some other codes?

[Da-Wei Li]

>From your description, why not just write a script to run various
Gromacs programs (MD, analysis, etc)?

dawei

On Tue, Jun 12, 2012 at 2:43 PM, Bao Kai <paeanball at gmail.com> wrote:
> Hi, all,
>
> I am wondering if Gromacs functions can be called by some other codes.
>  I know we get some library files and header files and we can write
> our own analysis tools.
>
> But I still wonder to what extent the gromacs can be coupled to other codes.
>
> For example, can we just generate the topology and .gro and .mdp files
> ( we can write our own code to do that ), then call the the functions
> or procedures in Gromacs library to complete the MD simulation, and
> then call some functions to return the analysis results, such as
> density, viscosity, and etc.
>
> Thank you very much.
>
> Best Regards,
> Kai
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists