From c0ae90d68622063a44af443acc01f7e4925fbc56 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@fe.uni-lj.si> Date: Thu, 18 Sep 2014 10:17:22 +0000 Subject: [PATCH] Added constant area. Unfortunately dump has changed sue to change in datastructure --- src/tape | 23 +++++++++++++++++------ 1 files changed, 17 insertions(+), 6 deletions(-) diff --git a/src/tape b/src/tape index be15cfd..9c7c574 100644 --- a/src/tape +++ b/src/tape @@ -12,9 +12,16 @@ # Pressure calculations # (pswitch=1: calc. p*dV energy contribution) -pswitch = 1 +pswitch = 0 # pressure difference: p_inside - p_outside (in units kT/l_min^3): pressure=0.0 + +#Constant volume constraint (0 disable constant volume, 1 enable wiht additional vertex move, 2 enable with epsvol) +constvolswitch=2 +constvolprecision=1e-14 + +#Constant area constraint (0 disable constant area, 2 enable constant area with epsarea) +constareaswitch=2 ####### Polymer (brush) definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle @@ -26,7 +33,7 @@ ####### Filament (inside the vesicle) definitions ########### # nfil is a number of filaments inside the vesicle -nfil=2 +nfil=0 # nfono is a number of monomers in each filament nfono=300 # Persistence lenght of the filaments (in units l_min) @@ -34,7 +41,7 @@ ####### Nucleus (inside the vesicle) ########### # Radius of an impenetrable hard sphere inside the vesicle -R_nucleus=5 +R_nucleus=0 ####### Cell definitions ############ nxmax=60 @@ -44,15 +51,19 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=250 +#200000 +mcsweeps=20 #how many initial mcsweeps*inititer MC sweeps before recording to disk? +#2 inititer=0 #how many records do you want on the disk iteration are there in a run? -iterations=1000 +#10000 +iterations=100 ###### Spherical harmonics ########### -spherical_harmonics_coefficients=15 +# If 0 then spherical harmonics are not calculated at all. +spherical_harmonics_coefficients=21 #shut up if we are using cluster!!! quiet=false -- Gitblit v1.9.3