From 51b4f09bca802c4941700c78c5733ce968ddc7c6 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Wed, 27 Feb 2019 22:44:22 +0000 Subject: [PATCH] An attempt of adding hard constraints plugin to the simulator. It seems it does not work yet --- src/tape | 4 ++-- 1 files changed, 2 insertions(+), 2 deletions(-) diff --git a/src/tape b/src/tape index 5e1be37..8a735db 100644 --- a/src/tape +++ b/src/tape @@ -12,9 +12,9 @@ # 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=10.0 +pressure=-100.0 #Constant volume constraint (0 disable constant volume, 1 enable wiht additional vertex move, 2 enable with epsvol) constvolswitch=0 -- Gitblit v1.9.3