- 06:03 AM GROMACS Bug #3107 (Closed): editconf not updating atom names correctly
- If you select a subset of atoms using editconf, atom names are not correctly propagated into the output coordinate fi...
- 11:50 PM GROMACS Feature #2984 (New): More Extensive Selections Examples
- The method of selection with GROMACS tools is powerful and flexible http://manual.gromacs.org/documentation/current/o...
- 02:34 AM GROMACS Bug #2951 (Closed): Core dump with gmx rdf with some selections
- When running some selections with gmx rdf 2019.2 get:
'Segmentation fault (core dumped)'
Exact same files and com...
- 12:31 AM GROMACS Feature #2289 (New): gmx spatial add ability to perform over multiple reference structures
- In version 4.0.7, I think it was, there was the ability to generate SDFs over multiple molecules / reference structur...
- 12:32 AM GROMACS Bug #2260 (Closed): grompp running out of memory when excluded bonded neighbours is large
- Want to be able to exclude intramolecular contributions to RDFs for long linear molecules (38 united atoms long). Wh...
- 04:38 AM GROMACS Feature #1619 (Closed): gangle add x and y axis to second vector group options
- Currently the second vector group that can calculate the angle with only includes the z axis. Would be very handy if...
- 07:25 AM GROMACS Feature #1602 (New): gmx order S per slice along all 3 axes
- Not really sure if this fits in with this package or not, but fact it generates Sx, Sy and Sz as overall average it p...
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