From fc6f3ef0a9822f3d5f06d38e556dbb5f2e985f4a Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Wed, 13 Jul 2016 17:33:28 +0000
Subject: [PATCH] First attempt in solving an issue of dense packed internal pegs. They are recreated as many times as needed.

---
 src/tape |   26 ++++++++++++++++----------
 1 files changed, 16 insertions(+), 10 deletions(-)

diff --git a/src/tape b/src/tape
index 4fd57e5..93e42d7 100644
--- a/src/tape
+++ b/src/tape
@@ -1,6 +1,6 @@
 ####### Vesicle definitions ###########
 # nshell is a number of divisions of dipyramid
-nshell=5
+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)
@@ -14,35 +14,39 @@
 # (pswitch=1: calc. p*dV energy contribution)
 pswitch = 0
 # 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)
-constareaswitch=2
+constareaswitch=0
 
 ####### Polymer (brush) definitions ###########
 # npoly is a number of polymers attached to npoly distinct vertices on vesicle
-npoly=0
+npoly=400
 # nmono is a number of monomers in each polymer
 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
 nfil=0
 # nfono is a number of monomers in each filament
-nfono=300
+nfono=3
 # Persistence lenght of the filaments (in units l_min)
-xi=0
+xi=100
 
 ####### Nucleus (inside the vesicle) ###########
 # Radius of an impenetrable hard sphere inside the vesicle
 R_nucleus=0
-
+R_nucleusX=0
+R_nucleusY=0
+R_nucleusZ=0
 #######  Cell definitions ############
 nxmax=60
 nymax=60
@@ -52,10 +56,10 @@
 ####### Program Control ############
 #how many MC sweeps between subsequent records of states to disk
 #200000
-mcsweeps=20
+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
@@ -67,6 +71,8 @@
 
 #shut up if we are using cluster!!!
 quiet=false
+ 
+
 
 #what type of multiprocessing? (*none, smp, cluster, distributed, cuda, auto)
 #currently only none makes sense.

--
Gitblit v1.9.3