From 21cdbcbd01b30a3760460ec2b6186a854c66dc23 Mon Sep 17 00:00:00 2001
From: tobias <tobias@5a81b35b-ba03-0410-adc8-b2c5c5119f08>
Date: Wed, 11 Aug 2010 16:15:10 +0000
Subject: [PATCH] modified default vdW parameter for carbon atoms to 1.70 (was
1.75)
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2645 5a81b35b-ba03-0410-adc8-b2c5c5119f08
---
modules/conop/src/conop.cc | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/modules/conop/src/conop.cc b/modules/conop/src/conop.cc
index 3267e83e0..cb19a99bf 100644
--- a/modules/conop/src/conop.cc
+++ b/modules/conop/src/conop.cc
@@ -42,7 +42,7 @@ Conopology::Conopology():
ele_rad_map_["H"] = 1.09;
- ele_rad_map_["C"] = 1.75;
+ ele_rad_map_["C"] = 1.70; //was 1.75
ele_rad_map_["N"] = 1.55;
ele_rad_map_["O"] = 1.52;
ele_rad_map_["F"] = 1.47;
--
GitLab