From 6487a03362d35589c286d0660eba123a7ab00535 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Mon, 10 May 2021 11:14:04 +0000
Subject: [PATCH] Raj and Yoav session in making multiple protein species

---
 src/tape |   78 ++++++++++++++++++++++++++++++++-------
 1 files changed, 64 insertions(+), 14 deletions(-)

diff --git a/src/tape b/src/tape
index 38871bd..f30ddaa 100644
--- a/src/tape
+++ b/src/tape
@@ -1,8 +1,10 @@
 ####### Vesicle definitions ###########
 # nshell is a number of divisions of dipyramid
-nshell=17
+nshell=7
 # 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)
@@ -12,41 +14,70 @@
 # (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=0
+
+
+#Stretching
+stretchswitch=0
+xkA0=1.0
 
 ####### Polymer (brush) definitions ###########
 # npoly is a number of polymers attached to npoly distinct vertices on vesicle
 npoly=0
 # nmono is a number of monomers in each polymer
-nmono=10
+nmono=0
 # Spring constant between monomers of the polymer
 k_spring=800
+#set to 1 if half of the polymeres are inside the vesicle
+internal_poly=0
 
 ####### Filament (inside the vesicle) definitions ###########
-# npoly is a number of polymers attached to npoly distinct vertices on vesicle
+# nfil is a number of filaments inside the vesicle
 nfil=0
-# nmono is a number of monomers in each filament
-nfono=10
-# Spring constant between monomers of the filament
-k_sfring=800
+# nfono is a number of monomers in each filament
+nfono=3
+# Persistence lenght of the filaments (in units l_min)
+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
-nzmax=60
+nxmax=100
+nymax=100
+nzmax=100
 
 
 ####### 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=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
+ 
+
 
 #what type of multiprocessing? (*none, smp, cluster, distributed, cuda, auto)
 #currently only none makes sense.
@@ -58,3 +89,22 @@
 #max number of processes in distributed (voluntary) environment
 distributed_processes=50
 #cuda options???
+
+
+#number of vertices with spontaneous curvature (integer)
+number_of_vertices_with_c0=200
+#c0/2 is spontaneous curvature. c0 is used as (c1+c1-c0)^2 in energy term (float)
+c0=1.0
+#energy of attraction of vertices with spontaneous curvature (float, positive value for attraction)
+w=10.0
+#direct force on vesicles with spontaneous curvature (float)
+F=2.0
+
+
+
+#plane confinement
+plane_confinement_switch=0
+#final plane distance (float in lmin)
+plane_d=10
+#plane to vesicle repulsion force while closing
+plane_F=10

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