From 41637ae4c538b5f11b41dacf6f941479e7a5ff00 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Fri, 06 Jun 2014 09:48:41 +0000
Subject: [PATCH] CV bug fix. Changes in constant volume: verifying the neightbour distances and removed preliminary contraints check. Seems to work now.

---
 src/tape |   49 +++++++++++++++++++++++++++++++++++++++----------
 1 files changed, 39 insertions(+), 10 deletions(-)

diff --git a/src/tape b/src/tape
index 02c85b8..cedfc46 100644
--- a/src/tape
+++ b/src/tape
@@ -1,20 +1,45 @@
 ####### Vesicle definitions ###########
 # nshell is a number of divisions of dipyramid
 nshell=17
-# dmax is the max. bond length 
+# dmax is the max. bond length (in units l_min)
 dmax=1.7
-# bending rigidity of the membrane 
-xk0=25.0
-# max step size 
+# 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)
 stepsize=0.15
 
-####### Polymer definitions ###########
+# Pressure calculations
+# (pswitch=1: calc. p*dV energy contribution)
+pswitch = 0
+# pressure difference: p_inside - p_outside (in units kT/l_min^3):
+pressure=0.0
+
+#Constant volume constraint (0 disable constant volume, 1 enable)
+constvolswitch=0
+constvolprecision=1e-14
+
+
+####### Polymer (brush) definitions ###########
 # npoly is a number of polymers attached to npoly distinct vertices on vesicle
-npoly=20
+npoly=0
 # nmono is a number of monomers in each polymer
-nmono=15
+nmono=10
 # Spring constant between monomers of the polymer
 k_spring=800
+
+####### 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
+# 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
 
 #######  Cell definitions ############
 nxmax=60
@@ -24,13 +49,17 @@
 
 ####### Program Control ############
 #how many MC sweeps between subsequent records of states to disk
-mcsweeps=10
+mcsweeps=20
 #how many initial mcsweeps*inititer MC sweeps before recording to disk?
-inititer=1
+inititer=0
 #how many records do you want on the disk iteration are there in a run?
-iterations=100
+iterations=10
 
 
+###### 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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