MD-Bench/data/argon_1000/mdbench_params.conf
Rafael Ravedutti e48b3fb653 Add option to check if cj is local before applying reaction force
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-04-04 21:52:40 +02:00

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mass 39.94
sigma 0.0062220
epsilon 0.0000096960
ntimes 250000
dt 0.001
temp 80
x_out_freq 500
v_out_freq 5
cutforce 0.9
reneigh_every 100
nstat 125000