Rafael Ravedutti d0ec9520f2 Write function to read PDB files and include data for Argon simulation ...

Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>

2022-02-24 02:36:17 +01:00

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anneal.mdp

Write function to read PDB files and include data for Argon simulation

2022-02-24 02:36:17 +01:00

argon_start.pdb

Write function to read PDB files and include data for Argon simulation

2022-02-24 02:36:17 +01:00

argon.top

Write function to read PDB files and include data for Argon simulation

2022-02-24 02:36:17 +01:00

Cu_u3.eam

Add new setups for Copper melting with LJ and EAM

2021-11-30 01:33:55 +01:00

Cu_u6.eam

Add new setups for Copper melting with LJ and EAM

2021-11-30 01:33:55 +01:00

heatup.mdp

Write function to read PDB files and include data for Argon simulation

2022-02-24 02:36:17 +01:00

input_eam_cu_one_atomtype_20x20x20.dmp

Add new setups for Copper melting with LJ and EAM

2021-11-30 01:33:55 +01:00

input_lj_cu_one_atomtype_20x20x20.dmp

Add new setups for Copper melting with LJ and EAM

2021-11-30 01:33:55 +01:00

input_lj_cu_two_atomtypes_20x20x20.dmp

Add new setups for Copper melting with LJ and EAM

2021-11-30 01:33:55 +01:00

md.mdp

Write function to read PDB files and include data for Argon simulation

2022-02-24 02:36:17 +01:00