27 lines
342 B
Plaintext
27 lines
342 B
Plaintext
# collective variable example: monitor distances
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colvarsTrajFrequency 1 # output every 10 steps
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colvarsRestartFrequency 1000
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colvar {
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name one
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distance {
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group1 {
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atomNumbers 2 4 5 6
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}
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group2 {
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atomNumbers 80 82 83 84
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}
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}
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}
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harmonic {
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name h_pot
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colvars one
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centers 10.00
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forceConstant 100.0
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}
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