21 lines
466 B
Plaintext
21 lines
466 B
Plaintext
# demo for atom style template simulating a cyclohexane methane mixture
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# part 3: continuing from restart file
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# run the first part and write out restart
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include in.template-mix
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write_restart template-mix.restart
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# now restart
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clear
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molecule cychex cyclohexane.mol
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read_restart template-mix.restart
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thermo 100
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fix 1 all nvt temp 300.0 300.0 1.0
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# dump 1 all custom 100 custom template-mix.lammpstrj id xu yu zu
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run 2000
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# clean up
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shell rm template-mix.restart
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