From f3d3cb6eb7bc70c82aa0e57c693b259c26a7f84e Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Tue, 21 Jun 2016 20:33:13 +0000 Subject: [PATCH] Removed accidentaly added spontaneous curvature settings. --- src/tape | 27 ++++++++++++++++++++------- 1 files changed, 20 insertions(+), 7 deletions(-) diff --git a/src/tape b/src/tape index 0801375..3672000 100644 --- a/src/tape +++ b/src/tape @@ -1,6 +1,6 @@ ####### Vesicle definitions ########### # nshell is a number of divisions of dipyramid -nshell=17 +nshell=5 # dmax is the max. bond length (in units l_min) dmax=1.7 # dmin_interspecies in the min. dist. between different vertex species (in units l_min) @@ -14,13 +14,20 @@ # (pswitch=1: calc. p*dV energy contribution) pswitch = 0 # pressure difference: p_inside - p_outside (in units kT/l_min^3): -pressure=0.0 +pressure=-10.0 + +#Constant volume constraint (0 disable constant volume, 1 enable wiht additional vertex move, 2 enable with epsvol) +constvolswitch=0 +constvolprecision=1e-14 + +#Constant area constraint (0 disable constant area, 2 enable constant area with epsarea) +constareaswitch=0 ####### Polymer (brush) definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle npoly=0 # nmono is a number of monomers in each polymer -nmono=10 +nmono=2 # Spring constant between monomers of the polymer k_spring=800 @@ -28,14 +35,16 @@ # nfil is a number of filaments inside the vesicle nfil=0 # nfono is a number of monomers in each filament -nfono=300 +nfono=3 # Persistence lenght of the filaments (in units l_min) xi=0 ####### Nucleus (inside the vesicle) ########### # Radius of an impenetrable hard sphere inside the vesicle R_nucleus=0 - +R_nucleusX=6.0 +R_nucleusY=12.0 +R_nucleusZ=6.0 ####### Cell definitions ############ nxmax=60 nymax=60 @@ -44,14 +53,18 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=2500 +#200000 +mcsweeps=200 #how many initial mcsweeps*inititer MC sweeps before recording to disk? +#2 inititer=0 #how many records do you want on the disk iteration are there in a run? -iterations=15000 +#10000 +iterations=100 ###### Spherical harmonics ########### +# If 0 then spherical harmonics are not calculated at all. spherical_harmonics_coefficients=21 #shut up if we are using cluster!!! -- Gitblit v1.9.3