From 459ff94855b2659de14ac2ac902b9658d28e19d5 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo@CAE-linux.(none)> Date: Mon, 21 Apr 2014 11:11:37 +0000 Subject: [PATCH] Added complex spherical harmonics. --- src/tape | 45 ++++++++++++++++++++++++++++++++++----------- 1 files changed, 34 insertions(+), 11 deletions(-) diff --git a/src/tape b/src/tape index c8c8cdb..be15cfd 100644 --- a/src/tape +++ b/src/tape @@ -1,20 +1,40 @@ ####### Vesicle definitions ########### # nshell is a number of divisions of dipyramid nshell=17 -# dmax is the square of the bond length -dmax=1.67 -# bending rigidity of the membrane -xk0=25.0 -# max step size +# 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) +dmin_interspecies=1.2 +# bending rigidity of the membrane (in units kT) +xk0=10.0 +# max step size (in units l_min) stepsize=0.15 -####### Polymer definitions ########### +# Pressure calculations +# (pswitch=1: calc. p*dV energy contribution) +pswitch = 1 +# pressure difference: p_inside - p_outside (in units kT/l_min^3): +pressure=0.0 + +####### Polymer (brush) definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle -npoly=10 +npoly=0 # nmono is a number of monomers in each polymer -nmono=15 +nmono=10 # Spring constant between monomers of the polymer k_spring=800 + +####### Filament (inside the vesicle) definitions ########### +# nfil is a number of filaments inside the vesicle +nfil=2 +# nfono is a number of monomers in each filament +nfono=300 +# 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=5 ####### Cell definitions ############ nxmax=60 @@ -24,13 +44,16 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=10 +mcsweeps=250 #how many initial mcsweeps*inititer MC sweeps before recording to disk? -inititer=1 +inititer=0 #how many records do you want on the disk iteration are there in a run? -iterations=100 +iterations=1000 +###### Spherical harmonics ########### +spherical_harmonics_coefficients=15 + #shut up if we are using cluster!!! quiet=false -- Gitblit v1.9.3