From 3f5c83bc26e98dd41e93fc9023a610cd0ec1d363 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@fe.uni-lj.si> Date: Tue, 11 Mar 2014 08:52:58 +0000 Subject: [PATCH] Fixed bugs when dump file is missing. Prepared flags for setting filenames --- src/tape | 27 ++++++++++++++++++++------- 1 files changed, 20 insertions(+), 7 deletions(-) diff --git a/src/tape b/src/tape index 0351c83..bd02323 100644 --- a/src/tape +++ b/src/tape @@ -1,13 +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=0.0 + +####### Polymer 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 +# Spring constant between monomers of the polymer +k_spring=800 ####### Cell definitions ############ nxmax=60 @@ -17,9 +30,9 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=100 +mcsweeps=5000 #how many initial mcsweeps*inititer MC sweeps before recording to disk? -inititer=100 +inititer=1 #how many records do you want on the disk iteration are there in a run? iterations=1000 -- Gitblit v1.9.3