From ad4e7069f10b80446be8d13eba28a03c2c642a3b Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Fri, 13 Jun 2014 20:37:10 +0000 Subject: [PATCH] Now it works after remake! However, some crossection segments are in the list multiple times. --- src/tape | 35 +++++++++++++++++++++++++---------- 1 files changed, 25 insertions(+), 10 deletions(-) diff --git a/src/tape b/src/tape index 38871bd..734811b 100644 --- a/src/tape +++ b/src/tape @@ -3,6 +3,8 @@ 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) @@ -10,9 +12,14 @@ # Pressure calculations # (pswitch=1: calc. p*dV energy contribution) -pswitch = 0 +pswitch = 1 # pressure difference: p_inside - p_outside (in units kT/l_min^3): -pressure=0.0 +pressure=1.0 + +#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 @@ -23,12 +30,16 @@ k_spring=800 ####### Filament (inside the vesicle) definitions ########### -# npoly is a number of polymers attached to npoly distinct vertices on vesicle +# nfil is a number of filaments inside the vesicle nfil=0 -# nmono is a number of monomers in each filament -nfono=10 -# Spring constant between monomers of the filament -k_sfring=800 +# 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 @@ -38,13 +49,17 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=5000 +mcsweeps=2000 #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=1000 +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