From aab4ad46109f8361d0235a07ba1edbf188ad442f Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Tue, 11 Mar 2014 10:52:57 +0000
Subject: [PATCH] Fixed counting of iterations when invoked with --reset-iteration-count

---
 src/tape |   28 ++++++++++++++++++----------
 1 files changed, 18 insertions(+), 10 deletions(-)

diff --git a/src/tape b/src/tape
index 55973b6..4254270 100644
--- a/src/tape
+++ b/src/tape
@@ -1,18 +1,26 @@
 ####### Vesicle definitions ###########
 # nshell is a number of divisions of dipyramid
 nshell=17
-# dmax is the square of the bond length 
-dmax=1.67
-# bending rigidity of the membrane 
-xk0=25.0
-# max step size 
+# dmax is the max. bond length (in units l_min)
+dmax=1.7
+# bending rigidity of the membrane (in units kT)
+xk0=10.0
+# max step size (in units l_min)
 stepsize=0.15
+
+# Pressure calculations
+# (pswitch=1: calc. p*dV energy contribution)
+pswitch = 0
+# pressure difference: p_inside - p_outside (in units kT/l_min^3):
+pressure=0.1
 
 ####### Polymer definitions ###########
 # npoly is a number of polymers attached to npoly distinct vertices on vesicle
-npoly=10
-# nmono is a number of monomers in each polymere
-nmono=15
+npoly=300
+# nmono is a number of monomers in each polymer
+nmono=10
+# Spring constant between monomers of the polymer
+k_spring=800
 
 #######  Cell definitions ############
 nxmax=60
@@ -22,11 +30,11 @@
 
 ####### Program Control ############
 #how many MC sweeps between subsequent records of states to disk
-mcsweeps=10
+mcsweeps=500
 #how many initial mcsweeps*inititer MC sweeps before recording to disk?
 inititer=1
 #how many records do you want on the disk iteration are there in a run?
-iterations=100
+iterations=20
 
 
 #shut up if we are using cluster!!!

--
Gitblit v1.9.3