From 299e2b16d4f0cbe8cb4938835e3b1817d23b4e60 Mon Sep 17 00:00:00 2001 From: d3m299 Date: Thu, 5 Oct 2006 17:18:07 +0000 Subject: [PATCH] adding fragment file for CCl4 --- src/data/amber_u/CTT.frg | 14 ++++++++++++++ 1 file changed, 14 insertions(+) create mode 100644 src/data/amber_u/CTT.frg diff --git a/src/data/amber_u/CTT.frg b/src/data/amber_u/CTT.frg new file mode 100644 index 0000000000..9740331776 --- /dev/null +++ b/src/data/amber_u/CTT.frg @@ -0,0 +1,14 @@ +# Fragment file for flexible CCl4 +$CCl + 5 1 1 0 +CCl + 1 C CT 0 0 0 1 1 -0.388000 0.000000 + 2CL1 CL 0 0 0 1 1 0.097000 0.000000 + 3CL2 CL 0 0 0 1 1 0.097000 0.000000 + 4CL3 CL 0 0 0 1 1 0.097000 0.000000 + 5CL4 CL 0 0 0 1 1 0.097000 0.000000 + 1 2 + 1 3 + 1 4 + 1 5 +