| commit | 3c6ba9c734d8b883eca6bc7919cdd97307798985 | |
| author | Berk Hess <hess@kth.se> | |
| Sat, 28 May 2016 07:22:37 +0000 (28 09:22 +0200) | ||
| committer | David van der Spoel <davidvanderspoel@gmail.com> | |
| Mon, 30 May 2016 17:31:49 +0000 (30 19:31 +0200) | ||
| tree | 34cbaf488df5976de722c5c5907af6e74c25d58d | treesnapshot (tar.gz zip) |
| parent | b08ab12cb418d553d46d46fd67970215ee2d3d21 | commitdiff |
Add grompp check for unbound atoms
grompp now print a note for atoms that are not connected by
a potential or constraint to any other atom in the same moleculetype,
since this often means the user made a mistake.
Refs #1958.
Change-Id: Iabb00563c76a9f7954f84d89d1c67d438f2c31ff
grompp now print a note for atoms that are not connected by
a potential or constraint to any other atom in the same moleculetype,
since this often means the user made a mistake.
Refs #1958.
Change-Id: Iabb00563c76a9f7954f84d89d1c67d438f2c31ff
| src/gromacs/gmxpreprocess/grompp.cpp | diffblobblamehistory |