From 759169c7cead24a05533f78058c5a7ebdda319c5 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Sun, 03 Jul 2016 22:17:37 +0000 Subject: [PATCH] Tried to made all functionality for clustering. Not debugged and will probably fail miserably --- src/tape | 16 +++++++++------- 1 files changed, 9 insertions(+), 7 deletions(-) diff --git a/src/tape b/src/tape index baaac60..59cc09c 100644 --- a/src/tape +++ b/src/tape @@ -1,6 +1,6 @@ ####### Vesicle definitions ########### # nshell is a number of divisions of dipyramid -nshell=5 +nshell=17 # dmax is the max. bond length (in units l_min) dmax=1.7 # dmin_interspecies in the min. dist. between different vertex species (in units l_min) @@ -14,10 +14,10 @@ # (pswitch=1: calc. p*dV energy contribution) pswitch = 0 # 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=2 +constvolswitch=0 constvolprecision=1e-14 #Constant area constraint (0 disable constant area, 2 enable constant area with epsarea) @@ -25,7 +25,7 @@ ####### Polymer (brush) definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle -npoly=2 +npoly=3 # nmono is a number of monomers in each polymer nmono=10 # Spring constant between monomers of the polymer @@ -33,7 +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) @@ -42,7 +42,9 @@ ####### Nucleus (inside the vesicle) ########### # Radius of an impenetrable hard sphere inside the vesicle R_nucleus=0 - +R_nucleusX=6.0 +R_nucleusY=12.0 +R_nucleusZ=6.0 ####### Cell definitions ############ nxmax=60 nymax=60 @@ -52,7 +54,7 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk #200000 -mcsweeps=20 +mcsweeps=200 #how many initial mcsweeps*inititer MC sweeps before recording to disk? #2 inititer=0 -- Gitblit v1.9.3