How to install a new Molecular Simulation Package in Gromacs?

User discussions
1

GROMACS version:2019.3
GROMACS modification: Yes/No
Here post your question

I am new to molecular dynamics simulation, the Gromacs folder contains many commands, such as grompp, how to install a new command or simulation package?

Here are the file for the file package and the Makefile file.

Thank you very much.

Code
Code798×492 36.8 KB

Thank you very much.

2

make
make913×771 20.6 KB

3

tem
tem913×1046 55.8 KB

4

Hi,
you can follow the instruction in the INSTALL file to install GROMACS. If you follow the standard procedure, the whole package is installed including all the tools.
Best regards
Alessandra