| commit | 2e4f7f300a284690ef2ad60359f3d7e40653724c | |
| author | Justin A. Lemkul <jalemkul@vt.edu> | |
| Mon, 11 Apr 2011 19:12:34 +0000 (11 15:12 -0400) | ||
| committer | Justin A. Lemkul <jalemkul@vt.edu> | |
| Mon, 11 Apr 2011 19:12:34 +0000 (11 15:12 -0400) | ||
| tree | 504d7e8f325f1491077c39ff35338147b7823728 | treesnapshot (tar.gz zip) |
| parent | 586496a28b3b48becdd1da68716d8020b22d0d5b | commitdiff |
Made g_protonate (partially) work.
Instead of throwing a fatal error or simply seg faulting, g_protonate
works when provided with a .pdb file. Seems that .tpr and .gro files
cause the program to crash still, so for the meantime, I have made note
of this fact with a "known bug" in the help description. Drilling down
through the remaining failing functions is beyond what I know about for
the moment so I'm leaving that much alone in the hopes that I don't actually
break anything.
IssueID #589
Instead of throwing a fatal error or simply seg faulting, g_protonate
works when provided with a .pdb file. Seems that .tpr and .gro files
cause the program to crash still, so for the meantime, I have made note
of this fact with a "known bug" in the help description. Drilling down
through the remaining failing functions is beyond what I know about for
the moment so I'm leaving that much alone in the hopes that I don't actually
break anything.
IssueID #589