| | |
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| | | ####### Vesicle definitions ########### |
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| | | # nshell is a number of divisions of dipyramid |
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| | | nshell=17 |
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| | | nshell=10 |
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| | | # dmax is the max. bond length (in units l_min) |
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| | | dmax=1.7 |
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| | | # dmin_interspecies in the min. dist. between different vertex species (in units l_min) |
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| | |
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| | | |
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| | | # Pressure calculations |
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| | | # (pswitch=1: calc. p*dV energy contribution) |
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| | | pswitch = 0 |
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| | | pswitch = 1 |
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| | | # pressure difference: p_inside - p_outside (in units kT/l_min^3): |
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| | | pressure=0.0 |
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| | | pressure=-10.0 |
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| | | |
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| | | #Constant volume constraint (0 disable constant volume, 1 enable wiht additional vertex move, 2 enable with epsvol) |
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| | | constvolswitch=2 |
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| | | constvolswitch=0 |
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| | | constvolprecision=1e-14 |
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| | | |
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| | | #Constant area constraint (0 disable constant area, 2 enable constant area with epsarea) |
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| | | constareaswitch=2 |
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| | | |
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| | | ####### Polymer (brush) definitions ########### |
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| | | # npoly is a number of polymers attached to npoly distinct vertices on vesicle |
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| | | npoly=5 |
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| | | npoly=0 |
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| | | # nmono is a number of monomers in each polymer |
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| | | nmono=10 |
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| | | # Spring constant between monomers of the polymer |
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| | |
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| | | ####### Nucleus (inside the vesicle) ########### |
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| | | # Radius of an impenetrable hard sphere inside the vesicle |
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| | | R_nucleus=0 |
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| | | |
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| | | R_nucleusX=2.0 |
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| | | R_nucleusY=6.0 |
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| | | R_nucleusZ=2.0 |
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| | | ####### Cell definitions ############ |
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| | | nxmax=60 |
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| | | nymax=60 |
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| | |
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| | | ####### Program Control ############ |
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| | | #how many MC sweeps between subsequent records of states to disk |
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| | | #200000 |
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| | | mcsweeps=20 |
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| | | mcsweeps=2000 |
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| | | #how many initial mcsweeps*inititer MC sweeps before recording to disk? |
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| | | #2 |
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| | | inititer=0 |
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