From f62178a77b884603b9c80cf1e6f5445a783dddfe Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Tue, 24 May 2016 20:23:00 +0000 Subject: [PATCH] Removed printf in restore.c --- src/tape | 46 ++++++++++++++++++++++++++++++++++------------ 1 files changed, 34 insertions(+), 12 deletions(-) diff --git a/src/tape b/src/tape index 38871bd..12f88cd 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) @@ -10,26 +12,39 @@ # 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=-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=2 ####### Polymer (brush) definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle -npoly=0 +npoly=3 # 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 ########### -# npoly is a number of polymers attached to npoly distinct vertices on vesicle -nfil=0 -# nmono is a number of monomers in each filament -nfono=10 -# Spring constant between monomers of the filament -k_sfring=800 +# 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=0 +R_nucleusX=2.0 +R_nucleusY=6.0 +R_nucleusZ=2.0 ####### Cell definitions ############ nxmax=60 nymax=60 @@ -38,13 +53,20 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=5000 +#200000 +mcsweeps=20 #how many initial mcsweeps*inititer MC sweeps before recording to disk? -inititer=1 +#2 +inititer=0 #how many records do you want on the disk iteration are there in a run? -iterations=1000 +#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!!! quiet=false -- Gitblit v1.9.3