← Back to branch summary

~ubuntu-branches/debian/sid/lammps/sid

« back to all changes in this revision

Viewing changes to tools/moltemplate/examples/all_atom_examples/force_field_OPLSAA/methane/moltemplate_files/system.lt

  • Committer: Package Import Robot
  • Author(s): Anton Gladky
  • Date: 2015-04-29 23:44:49 UTC
  • mfrom: (5.1.3 experimental)
  • Revision ID: package-import@ubuntu.com-20150429234449-mbhy9utku6hp6oq8
Tags: 0~20150313.gitfa668e1-1
Upload into unstable.

Show diffs side-by-side

added added

removed removed

Lines of Context:
tools/moltemplate/examples/all_atom_examples/force_field_OPLSAA/methane/moltemplate_files/system.lt
 
1
import "methane.lt"  # <- defines the "Methane" molecule type (uses OPLSAA)
 
2
 
 
3
# Periodic boundary conditions:
 
4
write_once("Data Boundary") {
 
5
   0.0  103.5  xlo xhi
 
6
   0.0  103.5  ylo yhi
 
7
   0.0  103.5  zlo zhi
 
8
}
 
9
 
 
10
# Now add methane molecules:
 
11
 
 
12
methanes = new Methane [10].move(0, 0, 10.35)
 
13
                       [10].move(0, 10.35, 0)
 
14
                       [10].move(10.35, 0, 0)
 
15