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Justin Lemkul

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08/16/2017

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...

08/04/2017

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

08/02/2017

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...

06/09/2017

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 ...

05/28/2017

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 ...

05/15/2017

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.

05/14/2017

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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