From a17e910df3b4849571e5ed9cf2a7767f1b461676 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Tue, 14 Jun 2016 18:30:55 +0000 Subject: [PATCH] Fixed restarting when inititer is not 0 --- src/tape | 20 ++++++++++++-------- 1 files changed, 12 insertions(+), 8 deletions(-) diff --git a/src/tape b/src/tape index b0ac65c..6319c97 100644 --- a/src/tape +++ b/src/tape @@ -14,16 +14,18 @@ # (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) -constvolswitch=1 +#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=500 +npoly=3 # nmono is a number of monomers in each polymer nmono=10 # Spring constant between monomers of the polymer @@ -31,7 +33,7 @@ ####### Filament (inside the vesicle) definitions ########### # nfil is a number of filaments inside the vesicle -nfil=0 +nfil=2 # nfono is a number of monomers in each filament nfono=300 # Persistence lenght of the filaments (in units l_min) @@ -40,7 +42,9 @@ ####### Nucleus (inside the vesicle) ########### # Radius of an impenetrable hard sphere inside the vesicle R_nucleus=0 - +R_nucleusX=6.0 +R_nucleusY=12.0 +R_nucleusZ=6.0 ####### Cell definitions ############ nxmax=60 nymax=60 @@ -50,10 +54,10 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk #200000 -mcsweeps=20 +mcsweeps=200 #how many initial mcsweeps*inititer MC sweeps before recording to disk? #2 -inititer=0 +inititer=10 #how many records do you want on the disk iteration are there in a run? #10000 iterations=100 -- Gitblit v1.9.3