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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 = 1 |
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| | | pswitch = 0 |
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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=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=0 |
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| | | npoly=3 |
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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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| | | |
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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=5 |
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| | | |
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| | | R_nucleus=0 |
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| | | R_nucleusX=6.0 |
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| | | R_nucleusY=12.0 |
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| | | R_nucleusZ=6.0 |
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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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| | | mcsweeps=250 |
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| | | #200000 |
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| | | mcsweeps=200 |
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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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| | | #how many records do you want on the disk iteration are there in a run? |
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| | | iterations=1000 |
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| | | #10000 |
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| | | iterations=100 |
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| | | |
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| | | |
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| | | ###### Spherical harmonics ########### |
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| | | spherical_harmonics_coefficients=15 |
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| | | # If 0 then spherical harmonics are not calculated at all. |
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| | | spherical_harmonics_coefficients=21 |
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| | | |
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| | | #shut up if we are using cluster!!! |
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| | | quiet=false |
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