| | |
|---|
| | | ####### Vesicle definitions ########### |
|---|
| | | # nshell is a number of divisions of dipyramid |
|---|
| | | nshell=10 |
|---|
| | | # dmax is the max. bond length |
|---|
| | | nshell=17 |
|---|
| | | # dmax is the max. bond length (in units l_min) |
|---|
| | | dmax=1.7 |
|---|
| | | # bending rigidity of the membrane |
|---|
| | | # bending rigidity of the membrane (in units kT) |
|---|
| | | xk0=25.0 |
|---|
| | | # max step size |
|---|
| | | # max step size (in units l_min) |
|---|
| | | stepsize=0.15 |
|---|
| | | |
|---|
| | | # Pressure calculations |
|---|
| | | # (pswitch=1: calc. p*dV energy contribution) |
|---|
| | | pswitch = 0 |
|---|
| | | # pressure difference: p_inside - p_outside (in units l_min^3/kT): |
|---|
| | | pressure=0.0 |
|---|
| | | |
|---|
| | | ####### Polymer definitions ########### |
|---|
| | | # npoly is a number of polymers attached to npoly distinct vertices on vesicle |
|---|
| | | npoly=30 |
|---|
| | | npoly=20 |
|---|
| | | # nmono is a number of monomers in each polymer |
|---|
| | | nmono=10 |
|---|
| | | # Spring constant between monomers of the polymer |
|---|
| | |
|---|
| | | |
|---|
| | | ####### Program Control ############ |
|---|
| | | #how many MC sweeps between subsequent records of states to disk |
|---|
| | | mcsweeps=2000 |
|---|
| | | mcsweeps=500 |
|---|
| | | #how many initial mcsweeps*inititer MC sweeps before recording to disk? |
|---|
| | | inititer=1 |
|---|
| | | #how many records do you want on the disk iteration are there in a run? |
|---|
| | | iterations=3000 |
|---|
| | | iterations=10 |
|---|
| | | |
|---|
| | | |
|---|
| | | #shut up if we are using cluster!!! |
|---|
