same doc change for "lbond" option

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Axel Kohlmeyer 2020-04-15 11:22:48 -04:00 committed by GitHub
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@ -23,12 +23,12 @@ Syntax
r0start = equilibrium bond distance at start of run (distance units)
r0stop = equilibrium bond distance at end of run (optional) (distance units). If not
specified it is assumed to be equal to r0start
*lbond* args = atom1 atom2 Kstart Kstop r0start r0stop
*lbond* args = atom1 atom2 Kstart Kstop r0start (r0stop)
atom1,atom2 = IDs of 2 atoms in bond
Kstart,Kstop = restraint coefficients at start/end of run (energy units)
r0start = equilibrium bond distance at start of run (distance units)
r0stop = equilibrium bond distance at end of run (distance units). If not
specified it's assumed to be equal to r0start
r0stop = equilibrium bond distance at end of run (optional) (distance units). If not
specified it is assumed to be equal to r0start
*angle* args = atom1 atom2 atom3 Kstart Kstop theta0
atom1,atom2,atom3 = IDs of 3 atoms in angle, atom2 = middle atom
Kstart,Kstop = restraint coefficients at start/end of run (energy units)