From 37d14a0a50ed40f536cc3821b3584552e1b75c5c Mon Sep 17 00:00:00 2001 From: Samo Penic <samo@CAE-linux.(none)> Date: Mon, 07 Apr 2014 19:55:16 +0000 Subject: [PATCH] added statistics output to the outer loop --- src/tape | 40 ++++++++++++++++++++++++++++++---------- 1 files changed, 30 insertions(+), 10 deletions(-) diff --git a/src/tape b/src/tape index c13a5f5..dbaabdb 100644 --- a/src/tape +++ b/src/tape @@ -1,20 +1,40 @@ ####### Vesicle definitions ########### # nshell is a number of divisions of dipyramid -nshell=10 -# dmax is the max. bond length +nshell=17 +# dmax is the max. bond length (in units l_min) dmax=1.7 -# bending rigidity of the membrane -xk0=25.0 -# max step size +# 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=-1.0 + +####### Polymer (brush) definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle -npoly=30 +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=2 +# nfono is a number of monomers in each filament +nfono=300 +# Persistence lenght of the filaments (in units l_min) +xi=5000 + +####### Nucleus (inside the vesicle) ########### +# Radius of an impenetrable hard sphere inside the vesicle +R_nucleus=5 ####### Cell definitions ############ nxmax=60 @@ -24,11 +44,11 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=2000 +mcsweeps=10 #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=3000 +iterations=20 #shut up if we are using cluster!!! -- Gitblit v1.9.3