Thank you very much for always telling me many important tips for LAMMPS.
I could make lammps with openmpi, Axel. Thank you so much.
NowI would like to calculate non-equilibrium molecular dynamics, but I
have a trouble to select fix command options...
I am trying to calculate a bunch of molecules under very strong electric
First I used NVT ensemble but I got an error at the middle of iteration
"ERROR on proc 0: Bond atoms 20 23 missing on proc 0 at step 184356"
I thought that it is because there is a conflict between keeping
temperature constant and applied force by electric field, so I think I
cannot use NVE, too.
Actually I tried NVE, but I got an error as I expected.....
"ERROR on proc 0: Bond atoms 20 23 missing on proc 0 at step 88451"
It seems there are many options in fix command to manage it, but I am
still not sure which is the best for my calculation.
It might be very trivial questions in MD field, but if you have an
experience to run LAMMPS with efield options, I would be very glad if
you tell me anything you know.
Thank you very much.