Dear all,
I’m wondering if you can tell me where I can find an example of a proper molecule file that can be used with the molecule command.
Best regards,
Yunes Salman
Dear all,
I’m wondering if you can tell me where I can find an example of a proper molecule file that can be used with the molecule command.
Best regards,
Yunes Salman
there are examples provided with the LAMMPS source code and there is - of course - the manual that explains them in great detail.