From e984829db39b2778e4f66c34524329ad09749c45 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Mon, 11 Jul 2016 19:29:21 +0000 Subject: [PATCH] Added possibility of internal pegs. It can break the system however --- src/tape | 27 ++++++++++++++++++--------- 1 files changed, 18 insertions(+), 9 deletions(-) diff --git a/src/tape b/src/tape index cedfc46..69fd056 100644 --- a/src/tape +++ b/src/tape @@ -14,33 +14,39 @@ # (pswitch=1: calc. p*dV energy contribution) pswitch = 0 # 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) +#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=0 ####### Polymer (brush) definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle -npoly=0 +npoly=800 # nmono is a number of monomers in each polymer -nmono=10 +nmono=6 # Spring constant between monomers of the polymer k_spring=800 +#set to 1 if half of the polymeres are inside the vesicle +internal_poly=1 ####### 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 +nfono=3 # 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=0 +R_nucleusY=0 +R_nucleusZ=0 ####### Cell definitions ############ nxmax=60 nymax=60 @@ -49,11 +55,14 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=20 +#200000 +mcsweeps=200 #how many initial mcsweeps*inititer MC sweeps before recording to disk? -inititer=0 +#2 +inititer=10 #how many records do you want on the disk iteration are there in a run? -iterations=10 +#10000 +iterations=100 ###### Spherical harmonics ########### -- Gitblit v1.9.3