[gmx-developers] How to add new commands written using template.cpp to Gromacs release

Eric Irrgang ericirrgang at gmail.com
Thu Sep 3 20:16:47 CEST 2020

Hi Victor,

The built-in Trajectory Analysis Framework modules are in gromacs/trajectoryanalysis/modules and a new tool should follow the same scheme. Instead of the template.cpp code, there are some additional steps to register the tool to be accessed by the `gmx ...` command line entry point.

Merge requests can be submitted through https://gitlab.com/gromacs/gromacs but please have a look at http://manual.gromacs.org/current/dev-manual/contribute.html


> On Sep 3, 2020, at 7:04 PM, Victor Nazarychev <nazarychev at imc.macro.ru> wrote:
> Dear Gromacs developers,
> We use template.cpp file to write some new special commands to calculate the polymer structural properties in Gromacs. I wanted to clarify, can you please suggest to me, who I need to contact to ask to consider the inclusion of some commands in the new version of Gromacs? And in what form should the code files be presented?
> Best regards,
> Victor
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