| commit | 6ab8ccf204441da0dcb138f55201027ac10a4091 | |
| author | Berk Hess <hess@kth.se> | |
| Wed, 21 Aug 2013 15:30:36 +0000 (21 17:30 +0200) | ||
| committer | Gerrit Code Review <gerrit@gerrit.gromacs.org> | |
| Thu, 25 Jun 2015 21:11:59 +0000 (25 23:11 +0200) | ||
| tree | 98c7eea1df2a995f7cdb369a168d0fedb5b5d21f | treesnapshot (tar.gz zip) |
| parent | 4889a40a5c735b116556556b7286075fbb1f2171 | commitdiff |
Intermolecular bonded interaction support added
The .top file can now contain an [ intermolecular_interactions ]
directive, after which bonded interactions can be entered using
global atom indices.
Added a molecule defition section to the topologies chapter in the
manual. A description of the moleculetype directive was missing.
This section has a subsection on intermolecular interactions.
Change-Id: I383287dd0729fef1c54f27a4fe9f5d628445549c
The .top file can now contain an [ intermolecular_interactions ]
directive, after which bonded interactions can be entered using
global atom indices.
Added a molecule defition section to the topologies chapter in the
manual. A description of the moleculetype directive was missing.
This section has a subsection on intermolecular interactions.
Change-Id: I383287dd0729fef1c54f27a4fe9f5d628445549c
17 files changed: