From d9cb01f2bbcaf704b11d7d8c926f2634c04db928 Mon Sep 17 00:00:00 2001 From: mihaf <miha.fosnaric@gmail.com> Date: Mon, 10 Mar 2014 11:12:11 +0000 Subject: [PATCH] added assigning new values to restore from dump --- src/tape | 22 ++++++++++++++-------- 1 files changed, 14 insertions(+), 8 deletions(-) diff --git a/src/tape b/src/tape index 02c85b8..18eea15 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 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 +# bending rigidity of the membrane (in units kT) +xk0=1.0 +# 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 l_min^3/kT): +pressure=0.0 ####### Polymer 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 @@ -24,11 +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=10 #shut up if we are using cluster!!! -- Gitblit v1.9.3