From 41637ae4c538b5f11b41dacf6f941479e7a5ff00 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@fe.uni-lj.si> Date: Fri, 06 Jun 2014 09:48:41 +0000 Subject: [PATCH] CV bug fix. Changes in constant volume: verifying the neightbour distances and removed preliminary contraints check. Seems to work now. --- src/tape | 12 +++++++++--- 1 files changed, 9 insertions(+), 3 deletions(-) diff --git a/src/tape b/src/tape index 27abf01..cedfc46 100644 --- a/src/tape +++ b/src/tape @@ -16,6 +16,11 @@ # 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 npoly=0 @@ -44,15 +49,16 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=250 +mcsweeps=20 #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=15000 +iterations=10 ###### 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