MD-Bench/data
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