From 301c87b8a0ae31d97adf840d90dd241ffb3328b6 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Tue, 24 May 2016 17:02:48 +0000 Subject: [PATCH] A fix in restoring from snapshot when filaments are used --- src/tape | 27 ++++++++++++++++++++------- 1 files changed, 20 insertions(+), 7 deletions(-) diff --git a/src/tape b/src/tape index 0801375..12f88cd 100644 --- a/src/tape +++ b/src/tape @@ -12,13 +12,20 @@ # Pressure calculations # (pswitch=1: calc. p*dV energy contribution) -pswitch = 0 +pswitch = 1 # pressure difference: p_inside - p_outside (in units kT/l_min^3): -pressure=0.0 +pressure=-10.0 + +#Constant volume constraint (0 disable constant volume, 1 enable wiht additional vertex move, 2 enable with epsvol) +constvolswitch=0 +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 -npoly=0 +npoly=3 # nmono is a number of monomers in each polymer nmono=10 # Spring constant between monomers of the polymer @@ -26,7 +33,7 @@ ####### Filament (inside the vesicle) definitions ########### # nfil is a number of filaments inside the vesicle -nfil=0 +nfil=2 # nfono is a number of monomers in each filament nfono=300 # Persistence lenght of the filaments (in units l_min) @@ -35,7 +42,9 @@ ####### Nucleus (inside the vesicle) ########### # Radius of an impenetrable hard sphere inside the vesicle R_nucleus=0 - +R_nucleusX=2.0 +R_nucleusY=6.0 +R_nucleusZ=2.0 ####### Cell definitions ############ nxmax=60 nymax=60 @@ -44,14 +53,18 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=2500 +#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=15000 +#10000 +iterations=100 ###### Spherical harmonics ########### +# If 0 then spherical harmonics are not calculated at all. spherical_harmonics_coefficients=21 #shut up if we are using cluster!!! -- Gitblit v1.9.3