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Do not track tpr, add missing source file in test
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5 files changed

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-131 KB
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units gromacs
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colvarsTrajFrequency 1
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colvar {
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name d_atoms
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extendedLagrangian on
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extendedFluctuation 0.1
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extendedTimeConstant 200
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width 0.1
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lowerBoundary 1
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upperBoundary 10
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distance {
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group1 {
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atomNumbers 337
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}
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group2 {
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atomNumbers 715
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}
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forceNoPBC
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}
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}
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colvar {
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name coords_OW_337
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cartesian {
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atoms {
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atomNumbers 337
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}
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}
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}
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abf {
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colvars d_atoms
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fullSamples 10
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shared on
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sharedFreq 10
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}

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