From cc95bd1ca5e69ce13766ca0acea11560531ed620 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@fe.uni-lj.si> Date: Tue, 24 May 2016 08:01:55 +0000 Subject: [PATCH] From snapshots, raw tape configuration is extracted and written into tape file and not the rendered one --- src/tape | 14 ++++++++------ 1 files changed, 8 insertions(+), 6 deletions(-) diff --git a/src/tape b/src/tape index 4fd57e5..620a4a3 100644 --- a/src/tape +++ b/src/tape @@ -1,6 +1,6 @@ ####### Vesicle definitions ########### # nshell is a number of divisions of dipyramid -nshell=5 +nshell=10 # 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) @@ -12,12 +12,12 @@ # 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=0.0 +pressure=-10.0 #Constant volume constraint (0 disable constant volume, 1 enable wiht additional vertex move, 2 enable with epsvol) -constvolswitch=2 +constvolswitch=0 constvolprecision=1e-14 #Constant area constraint (0 disable constant area, 2 enable constant area with epsarea) @@ -42,7 +42,9 @@ ####### Nucleus (inside the vesicle) ########### # Radius of an impenetrable hard sphere inside the vesicle R_nucleus=0 - +R_nucleusX=2.0 +R_nucleusY=6.0 +R_nucleusZ=2.0 ####### Cell definitions ############ nxmax=60 nymax=60 @@ -52,7 +54,7 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk #200000 -mcsweeps=20 +mcsweeps=2000 #how many initial mcsweeps*inititer MC sweeps before recording to disk? #2 inititer=0 -- Gitblit v1.9.3