From b06bedb1dacc2fb6e34f8162afa2a2a6da6c002b Mon Sep 17 00:00:00 2001 From: Kurt Glaesmann Date: Mon, 8 Jun 2009 17:38:48 +0000 Subject: [PATCH] NE is neon, not nitrogen version E --- src/data/charmm_s/charmm.par | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/data/charmm_s/charmm.par b/src/data/charmm_s/charmm.par index c76a2910a6..98320f4f14 100644 --- a/src/data/charmm_s/charmm.par +++ b/src/data/charmm_s/charmm.par @@ -119,7 +119,7 @@ DUM 0.00000 0.00000E+00 0.00000E+00 1 1111111111 0 0.00000E+00 0.00000E+00 HE 4.00260 8.89937E-02 1.48000E-01 1 1111111111 2 8.89937E-02 1.48000E-01 -NE 14.00700 3.59824E-01 1.53000E-01 1 1111111111 +NE 20.17970 3.59824E-01 1.53000E-01 1 1111111111 7 0.00000E+00 0.00000E+00 Cross Bonds