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James Barnett

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03/20/2017

05:56 PM GROMACS Bug #2143 (Closed): Pull group 0 shows up in logs, states one more group than actually exists
In md.log when using the pull code, there is always a "pull-group 0" output with no atoms. grompp does not accept "pu...

10/13/2016

11:43 PM GROMACS Bug #2058: GROMACS does not honor when GMX_MAXCONSTRWARN is set to -1
Applied in changeset commit:5844c8b02f2abf8adc98879baad4936a809a5eca.

10/12/2016

10:03 PM GROMACS Revision 5844c8b0: Set maxwarn to INT_MAX if GMX_MAXCONSTRWARN < 0
maxwarn is set to the value of the environmental variable
GMX_MAXCONSTRWARN, and we tell users to set that variable t...

10/11/2016

06:59 PM GROMACS Revision 2ff099b7: fix typo
Change-Id: Iee8170173b5c4f02361e588260985d7ddf24f198
03:20 PM GROMACS Bug #2058 (Closed): GROMACS does not honor when GMX_MAXCONSTRWARN is set to -1
Only one SETTLE error is enough to cause the program to halt when GMX_MAXCONSTRWARN is set to -1. There is no check t...

10/03/2016

06:48 PM GROMACS Task #2055 (New): Wiki registration is broken
Steps to reproduce:
1. Go to http://www.gromacs.org.
2. Click on "Register" on the left hand side.
The page ju...

05/27/2016

10:40 PM GROMACS Bug #1955: Segmentation fault when minimizing box of water
Attached.

05/14/2016

06:04 PM GROMACS Bug #1955: Segmentation fault when minimizing box of water
My input file is attached. Also, if I unset "NDEBUG" for src/gromacs/mdlib/nbnxn_grid.cpp I get the following error:
...

05/11/2016

10:43 PM GROMACS Bug #1955: Segmentation fault when minimizing box of water
The patch above actually didn't fix it after some more testing. This error occurs when the SETTLE error happens. Usin...
10:38 PM GROMACS Revision 51d0c257: Use STRLEN for buf
Change-Id: Idad6bfb340160c96aa979943aee32c3b909940a5

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