From a26a909b45161c46d018322b82263ce6764b64fa Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Fri, 08 Mar 2019 20:14:36 +0000 Subject: [PATCH] Constant area plugin done -- fix --- src/tape | 29 +++++++++++++++++++++-------- 1 files changed, 21 insertions(+), 8 deletions(-) diff --git a/src/tape b/src/tape index bad3739..42e22ea 100644 --- a/src/tape +++ b/src/tape @@ -12,9 +12,9 @@ # 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 +pressure=-10.0 #Constant volume constraint (0 disable constant volume, 1 enable wiht additional vertex move, 2 enable with epsvol) constvolswitch=0 @@ -23,11 +23,16 @@ #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=800 +npoly=0 # nmono is a number of monomers in each polymer -nmono=6 +nmono=10 # Spring constant between monomers of the polymer k_spring=800 #set to 1 if half of the polymeres are inside the vesicle @@ -56,10 +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=10 +inititer=0 #how many records do you want on the disk iteration are there in a run? #10000 iterations=100 @@ -86,12 +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