peptide.abf
a8a95efae3e7lammm-master-deprecated

peptide.abf
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			# collective variable example: monitor distances

			colvarsTrajFrequency 1 # output every 10 steps
			colvarsRestartFrequency 1000

			colvar {
			name one

			lowerBoundary 0.00
			upperBoundary 20.00
			hardLowerBoundary on
			outputAppliedForce on
			outputSystemForce on

			distance {
			group1 {
			atomNumbers 2 4 5 6
			}
			group2 {
			atomNumbers 37
			}
			}
			}

			colvar {
			name two

			lowerBoundary 0.00
			upperBoundary 20.00
			hardLowerBoundary yes
			outputAppliedForce yes
			outputSystemForce yes

			distance {
			group1 {
			atomNumbers 80 82 83 84
			}
			group2 {
			atomNumbers 37
			}
			}
			}

			abf {
			name abf
			colvars one two
			applyBias on
			}