From 7ec6fb63c690080d0624c7bf138d0fd84fe7664e Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Tue, 15 May 2018 16:11:14 +0000 Subject: [PATCH] First working version, not debugged and energy assigned to vesicles on timesteps --- src/tape | 23 +++++++++++++++-------- 1 files changed, 15 insertions(+), 8 deletions(-) diff --git a/src/tape b/src/tape index fe611f8..9e81e14 100644 --- a/src/tape +++ b/src/tape @@ -14,7 +14,7 @@ # (pswitch=1: calc. p*dV energy contribution) pswitch = 0 # pressure difference: p_inside - p_outside (in units kT/l_min^3): -pressure=-10.0 +pressure=10.0 #Constant volume constraint (0 disable constant volume, 1 enable wiht additional vertex move, 2 enable with epsvol) constvolswitch=0 @@ -23,13 +23,20 @@ #Constant area constraint (0 disable constant area, 2 enable constant area with epsarea) constareaswitch=0 + +#Stretching +stretchswitch=1 +xkA0=1.0 + ####### Polymer (brush) definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle npoly=0 # nmono is a number of monomers in each polymer -nmono=2 +nmono=10 # 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 @@ -54,10 +61,10 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk #200000 -mcsweeps=2000 +mcsweeps=200 #how many initial mcsweeps*inititer MC sweeps before recording to disk? #2 -inititer=0 +inititer=1 #how many records do you want on the disk iteration are there in a run? #10000 iterations=100 @@ -84,11 +91,11 @@ #cuda options??? -#NirGov branch only! #number of vertices with spontaneous curvature (integer) -number_of_vertices_with_c0=300 -#spontaneous curvature (float) +number_of_vertices_with_c0=100 +#c0/2 is spontaneous curvature. c0 is used as (c1+c1-c0)^2 in energy term (float) c0=0.5 #energy of attraction of vertices with spontaneous curvature (float, positive value for attraction) w=10.0 - +#direct force on vesicles with spontaneous curvature (float) +F=2.0 -- Gitblit v1.9.3