Can I use different units in LAMMPS like real instead of metal?

[saeedshahi]

Hello all,

I have a couple of question

1. Can I do MD on NPT ensemble by using NN potential which is trained by an NVT ensemble dataset like you put on your website?
2. If I trained 64 water molecules by DeePMD and got a NN potential, can I use it for MD of 256 water molecules? I mean I don't need to do MD by the same number that I trained. right?
3. Can I use different units in LAMMPS like real instead of metal? what is the unit to be compatible with graph.pb?

Best,
Saeed

[njzjz]

1. Yes.
2. Yes.
3. Not supported yet.

[njzjz]

The support for real is added in #2775.