From b30f45332934a27d267bac995eb6a94cc7cf5d9d Mon Sep 17 00:00:00 2001 From: mihaf <miha.fosnaric@gmail.com> Date: Wed, 19 Mar 2014 14:10:05 +0000 Subject: [PATCH] continuing... --- src/tape | 36 +++++++++++++++++++++++++++--------- 1 files changed, 27 insertions(+), 9 deletions(-) diff --git a/src/tape b/src/tape index 9a44ef3..751b9e6 100644 --- a/src/tape +++ b/src/tape @@ -1,20 +1,38 @@ ####### Vesicle definitions ########### # nshell is a number of divisions of dipyramid nshell=17 -# dmax is the max. bond length +# dmax is the max. bond length (in units l_min) dmax=1.7 -# bending rigidity of the membrane -xk0=25.0 -# max step size +# 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 = 0 +# pressure difference: p_inside - p_outside (in units kT/l_min^3): +pressure=0.0 + +####### 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=1 +# nfono is a number of monomers in each filament +nfono=300 +# Persistence lenght of the filaments (in units l_min) +xi=10 + +####### Nucleus (inside the vesicle) ########### +# Radius of an impenetrable hard sphere inside the vesicle +R_nucleus=5 ####### Cell definitions ############ nxmax=60 @@ -24,11 +42,11 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=5000 +mcsweeps=300 #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=10000 +iterations=300 #shut up if we are using cluster!!! -- Gitblit v1.9.3