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4Â¥: Originally posted by 11B329 at 2016-07-22 19:31:35
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fix            NVT all nvt temp $T $T 0.1
fix            hot C langevin  ${thi} ${thi} 1.0 59804 tally yes
run            10000

unfix          NVT
reset_timestep  0
fix            NVE all nve
dump 1 all custom 50000 dump.myforce.*.lammpstrj id type x y z
run           500000

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