From 7efbb1dbd7c2c1368c429858a32fbeb9467420a8 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Sat, 08 Mar 2014 11:29:08 +0000 Subject: [PATCH] It seems that bondlip is debugged. Still, recommend testing --- src/tape | 22 ++++++++++++++-------- 1 files changed, 14 insertions(+), 8 deletions(-) diff --git a/src/tape b/src/tape index c8c8cdb..b3aa6d4 100644 --- a/src/tape +++ b/src/tape @@ -1,18 +1,24 @@ ####### 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 +# dmax is the max. bond length (in units l_min) +dmax=1.7 +# bending rigidity of the membrane (in units kT) xk0=25.0 -# max step size +# 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 l_min^3/kT): +pressure=0.0 ####### Polymer definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle -npoly=10 +npoly=1 # nmono is a number of monomers in each polymer -nmono=15 +nmono=10 # Spring constant between monomers of the polymer k_spring=800 @@ -24,11 +30,11 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=10 +mcsweeps=5000 #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=10 #shut up if we are using cluster!!! -- Gitblit v1.9.3