From ecfc517b07bbfb447d8fde893bb56e837719852d Mon Sep 17 00:00:00 2001
From: Chris Maffeo <cmaffeo2@illinois.edu>
Date: Wed, 4 Sep 2019 09:30:04 -0500
Subject: [PATCH] Increased default oxDNA minimization to 500 steps
---
mrdna/simulate.py | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/mrdna/simulate.py b/mrdna/simulate.py
index 0f575fd..348c452 100644
--- a/mrdna/simulate.py
+++ b/mrdna/simulate.py
@@ -10,7 +10,7 @@ from . import get_resource_path
def minimize_and_simulate_oxdna( model,
output_name,
directory = None,
- num_min_steps = 1e2,
+ num_min_steps = 5e2,
num_steps = 1e7,
output_period = None,
**oxdna_args
--
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