From 9a1f16ae3affc4db83f2eb2623418ac5cff2af03 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Sat, 09 Mar 2019 20:07:56 +0000 Subject: [PATCH] Code cleanup --- src/tape | 15 ++++++++++----- 1 files changed, 10 insertions(+), 5 deletions(-) diff --git a/src/tape b/src/tape index cb09003..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 @@ -22,6 +22,11 @@ #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 @@ -56,7 +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 @@ -100,6 +105,6 @@ #plane confinement plane_confinement_switch=1 #final plane distance (float in lmin) -plane_d=15 +plane_d=10 #plane to vesicle repulsion force while closing -plane_F=1000 +plane_F=10 -- Gitblit v1.9.3