updates to MD protocol and examples

2018-08-28 17:08:52 -06:00
parent cb318f55e9
commit 83d453e78b
52 changed files with 1848 additions and 240 deletions
--- a/examples/message/in.message.client
+++ b/examples/message/in.message.client
@ -31,6 +31,9 @@ neighbor	0.3 bin
 neigh_modify	delay 0 every 1 check yes

 fix		1 all nve
+# same with NPT
+#fix             1 all npt temp 1.0 1.0 0.1 iso 1 1 1.0
+
 fix             2 all client/md
 fix_modify      2 energy yes