From d27c077296c88b4a78288bed7454c3a60279c26e Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Fri, 13 Jun 2014 13:58:50 +0000 Subject: [PATCH] seems to work. --- src/tape | 18 ++++++++++++------ 1 files changed, 12 insertions(+), 6 deletions(-) diff --git a/src/tape b/src/tape index be15cfd..7eae2ba 100644 --- a/src/tape +++ b/src/tape @@ -12,9 +12,14 @@ # 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) +constvolswitch=0 +constvolprecision=1e-14 + ####### Polymer (brush) definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle @@ -26,7 +31,7 @@ ####### 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 +39,7 @@ ####### 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 +49,16 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=250 +mcsweeps=2000 #how many initial mcsweeps*inititer MC sweeps before recording to disk? inititer=0 #how many records do you want on the disk iteration are there in a run? -iterations=1000 +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