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

Bao Kai paeanball at gmail.com
Tue Jun 12 20:43:28 CEST 2012

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,

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