From 06f70cc6f065746cf79c9792228356e3f015f4ec Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Fri, 08 Mar 2019 20:13:00 +0000 Subject: [PATCH] Constant area plugin done -- fix --- src/tape | 27 +++++++++++++++++++++------ 1 files changed, 21 insertions(+), 6 deletions(-) diff --git a/src/tape b/src/tape index 16a5480..42e22ea 100644 --- a/src/tape +++ b/src/tape @@ -1,6 +1,6 @@ ####### Vesicle definitions ########### # nshell is a number of divisions of dipyramid -nshell=10 +nshell=17 # dmax is the max. bond length (in units l_min) dmax=1.7 # dmin_interspecies in the min. dist. between different vertex species (in units l_min) @@ -12,7 +12,7 @@ # Pressure calculations # (pswitch=1: calc. p*dV energy contribution) -pswitch = 0 +pswitch = 1 # pressure difference: p_inside - p_outside (in units kT/l_min^3): pressure=-10.0 @@ -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 @@ -54,7 +61,7 @@ ####### 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 @@ -84,12 +91,20 @@ #cuda options??? -#NirGov branch only! #number of vertices with spontaneous curvature (integer) number_of_vertices_with_c0=100 -#spontaneous curvature (float) +#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 + + + +#plane confinement +plane_confinement_switch=1 +#final plane distance (float in lmin) +plane_d=10 +#plane to vesicle repulsion force while closing +plane_F=10 -- Gitblit v1.9.3