Rafael Ravedutti
|
ed2929c813
|
Add percentage of atoms within cutoff radius when using LAMMPS reference version
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-02-25 14:40:33 +01:00 |
|
Rafael Ravedutti
|
1a708f2d3b
|
Add PDB reading functions to lammps variant
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-02-24 15:17:51 +01:00 |
|
Rafael Ravedutti
|
aa0f4048d0
|
Rename default directory to lammps and reorganize gromacs variant steps
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2022-01-25 21:00:11 +01:00 |
|