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lammps/examples/PACKAGES/colvars/peptide2.colvars.state
2024-08-05 22:12:30 -04:00

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configuration {
step 100
dt 2.000000e+00
version 2024-06-04
}
colvar {
name one
x 10.038742350674
}
restraint {
configuration {
step 100
name h_pot
}
}