git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15489 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2016-08-23 22:17:44 +00:00
parent d007faca51
commit 7bf1d9b40f
11 changed files with 17 additions and 15 deletions
--- a/examples/USER/tally/in.force
+++ b/examples/USER/tally/in.force
@ -25,6 +25,9 @@ neighbor        2.0 bin
 fix		1 all shake 0.0001 20 0 b 1 a 1
 fix		2 all nvt temp 300.0 300.0 100.0

+# make certain that shake constraints are satisfied
+run 0 post no
+
 group		one molecule 1 2

 # the following section shows equivalences between using the force/tally compute and other computes and thermo keywords