From d27c077296c88b4a78288bed7454c3a60279c26e Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Fri, 13 Jun 2014 13:58:50 +0000 Subject: [PATCH] seems to work. --- src/tape | 57 +++++++++++++++++++++++++++++++++++++++++++++++++-------- 1 files changed, 49 insertions(+), 8 deletions(-) diff --git a/src/tape b/src/tape index 64f529a..7eae2ba 100644 --- a/src/tape +++ b/src/tape @@ -1,13 +1,45 @@ ####### Vesicle definitions ########### # nshell is a number of divisions of dipyramid -nshell=20 -# dmax is the square of the bond length -dmax=1.67 -# bending rigidity of the membrane -xk0=25.0 -# max step size +nshell=17 +# 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 +# Pressure calculations +# (pswitch=1: calc. p*dV energy contribution) +pswitch = 0 +# pressure difference: p_inside - p_outside (in units kT/l_min^3): +pressure=0.0 + +#Constant volume constraint (0 disable constant volume, 1 enable) +constvolswitch=0 +constvolprecision=1e-14 + + +####### 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 +# 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=0 +# 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=0 ####### Cell definitions ############ nxmax=60 @@ -16,8 +48,17 @@ ####### Program Control ############ -#how many iteration are there in a run? -iterations=20000 +#how many MC sweeps between subsequent records of states to disk +mcsweeps=2000 +#how many initial mcsweeps*inititer MC sweeps before recording to disk? +inititer=0 +#how many records do you want on the disk iteration are there in a run? +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!!! quiet=false -- Gitblit v1.9.3