| commit | 895abef1c0e6c6c1f9b129f091d14fc889820cdc | |
| author | lindahl <lindahl> | |
| Mon, 12 Mar 2001 12:46:34 +0000 (12 12:46 +0000) | ||
| committer | lindahl <lindahl> | |
| Mon, 12 Mar 2001 12:46:34 +0000 (12 12:46 +0000) | ||
| tree | 7924af6807e7de4364467146748d9d7079221459 | treesnapshot (tar.gz zip) |
| parent | 4d69dcc334564c00395c5a549e75c77ad22a3a70 | commitdiff |
Fixed a bug in grompp generating bad energy group exclusions.
Included a check for consistency of charge vs. energy groups.
Improved the neighborsearch to skip i charge groups with all energy groups excluded.
Included a check for consistency of charge vs. energy groups.
Improved the neighborsearch to skip i charge groups with all energy groups excluded.
| src/gmxlib/fnbf.c | diffblobblamehistory | |
| src/kernel/grompp.c | diffblobblamehistory | |
| src/kernel/readir.c | diffblobblamehistory | |
| src/mdlib/ns.c | diffblobblamehistory |