From a5e543120d541f47fe0a2e9841d02151dd3e693a Mon Sep 17 00:00:00 2001 From: mihaf <miha.fosnaric@gmail.com> Date: Tue, 08 Jul 2014 12:27:15 +0000 Subject: [PATCH] Fix: the number of cell total must be updated from new tape aswell. --- src/tape | 40 +++++++++++++++++++++++++++++++++------- 1 files changed, 33 insertions(+), 7 deletions(-) diff --git a/src/tape b/src/tape index b3aa6d4..034c8a4 100644 --- a/src/tape +++ b/src/tape @@ -3,24 +3,43 @@ 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=25.0 +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 l_min^3/kT): +# pressure difference: p_inside - p_outside (in units kT/l_min^3): pressure=0.0 -####### Polymer definitions ########### +#Constant volume constraint (0 disable constant volume, 1 enable) +constvolswitch=1 +constvolprecision=1e-14 + + +####### Polymer (brush) definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle -npoly=1 +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 @@ -30,13 +49,20 @@ ####### 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=10 +#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