| | |
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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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| | | # dmax is the square of the bond length |
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| | | dmax=1.67 |
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| | | # bending rigidity of the membrane |
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| | | xk0=25.0 |
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| | | # max step size |
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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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| | | # bending rigidity of the membrane (in units kT) |
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| | | xk0=1.0 |
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| | | # max step size (in units l_min) |
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| | | stepsize=0.15 |
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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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| | | # pressure difference: p_inside - p_outside (in units l_min^3/kT): |
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| | | pressure=0.0 |
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| | | |
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| | | ####### Polymer 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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| | | # 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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| | | k_spring=800 |
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| | | |
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| | | ####### Cell definitions ############ |
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| | | nxmax=60 |
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| | |
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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=100 |
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| | | mcsweeps=500 |
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| | | #how many initial mcsweeps*inititer MC sweeps before recording to disk? |
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| | | inititer=100 |
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| | | inititer=1 |
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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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| | | iterations=10 |
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| | | |
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| | | |
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| | | #shut up if we are using cluster!!! |
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