From 759169c7cead24a05533f78058c5a7ebdda319c5 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Sun, 03 Jul 2016 22:17:37 +0000
Subject: [PATCH] Tried to made all functionality for clustering. Not debugged and will probably fail miserably

---
 src/tape |   44 +++++++++++++++++++++++++++++++++-----------
 1 files changed, 33 insertions(+), 11 deletions(-)

diff --git a/src/tape b/src/tape
index 38871bd..59cc09c 100644
--- a/src/tape
+++ b/src/tape
@@ -3,6 +3,8 @@
 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)
+dmin_interspecies=1.2
 # bending rigidity of the membrane (in units kT)
 xk0=10.0
 # max step size (in units l_min)
@@ -12,24 +14,37 @@
 # (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=0
+constvolprecision=1e-14
+
+#Constant area constraint (0 disable constant area, 2 enable constant area with epsarea)
+constareaswitch=2
 
 ####### Polymer (brush) definitions ###########
 # npoly is a number of polymers attached to npoly distinct vertices on vesicle
-npoly=0
+npoly=3
 # nmono is a number of monomers in each polymer
 nmono=10
 # Spring constant between monomers of the polymer
 k_spring=800
 
 ####### Filament (inside the vesicle) definitions ###########
-# npoly is a number of polymers attached to npoly distinct vertices on vesicle
-nfil=0
-# nmono is a number of monomers in each filament
-nfono=10
-# Spring constant between monomers of the filament
-k_sfring=800
+# nfil is a number of filaments inside the vesicle
+nfil=2
+# nfono is a number of monomers in each filament
+nfono=300
+# Persistence lenght of the filaments (in units l_min)
+xi=0
 
+####### Nucleus (inside the vesicle) ###########
+# Radius of an impenetrable hard sphere inside the vesicle
+R_nucleus=0
+R_nucleusX=6.0
+R_nucleusY=12.0
+R_nucleusZ=6.0
 #######  Cell definitions ############
 nxmax=60
 nymax=60
@@ -38,13 +53,20 @@
 
 ####### Program Control ############
 #how many MC sweeps between subsequent records of states to disk
-mcsweeps=5000
+#200000
+mcsweeps=200
 #how many initial mcsweeps*inititer MC sweeps before recording to disk?
-inititer=1
+#2
+inititer=0
 #how many records do you want on the disk iteration are there in a run?
-iterations=1000
+#10000
+iterations=100
 
 
+###### Spherical harmonics ###########
+# If 0 then spherical harmonics are not calculated at all.
+spherical_harmonics_coefficients=21
+
 #shut up if we are using cluster!!!
 quiet=false
 

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