Justin Lemkul

03:48 PM GROMACS Bug #2232 (New): pdb2gmx can't form special bonds with terminal patched atoms: We have a system that requires a metal coordination to a C-terminal oxygen atom and therefore is represented with a c...
03:41 PM GROMACS Bug #2231 (New): convert-tpr aborts when saving subset of the system: We're running into a strange issue in which @convert-tpr@ fails to save a subset of a system. A colleague is trying t...

07:33 PM GROMACS Bug #2222 (Closed): Gromacs 2016.3 not opening custom .rtp files but version 5.1.2 does open it

07:00 PM GROMACS Bug #2222 (Feedback wanted): Gromacs 2016.3 not opening custom .rtp files but version 5.1.2 does open it: This works perfectly fine for me in 2016.3. The absence of methane.rtp in the screen output and subsequent failure su...

04:20 PM GROMACS Task #2202: stop using cute abbreviations in help files: There is another in a fatal error about .hdb files:
gmxpreprocess/h_db.cpp: gmx_fatal(FARGS, "Error in hdb ...

09:38 PM GROMACS Bug #2191 (Rejected): ubuntu 17.04 can not install gromacs-5.1.4: Please use the gmx-users mailing list to troubleshoot issues. You have provided no diagnostically useful information ...

12:10 PM GROMACS Bug #2171: editconf -h indicates -center defaults to (0,0,0) but that is not true from a user perspective: Applied in changeset commit:48353d3734a6c47a7d48b31e726a116d1d2966ae.

01:40 AM GROMACS Bug #2171 (Resolved): editconf -h indicates -center defaults to (0,0,0) but that is not true from a user perspective: Applied in changeset commit:36138bbb4ddcf28080819b11e9302f2825f4ebab.
12:57 AM GROMACS Revision 48353d37: Clarifications to editconf help text.: It is possible that users can confuse -c with -center so this
patch makes it clear that -center doesn't do anything u...
12:56 AM GROMACS Revision 36138bbb: Clarifications to editconf help text.: It is possible that users can confuse -c with -center so this
patch makes it clear that -center doesn't do anything u...

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