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- 03:15 PM GROMACS Revision a2cab741: Trivial spacing update in md.cpp
- 03:15 PM GROMACS Revision dc22b8aa: Code cleanup in coupling.cpp
- 03:14 PM GROMACS Revision ac5f6bed: Code cleanup in shellfc.cpp
- 07:30 PM GROMACS Revision 29b7c742: Fixed Thole generation.
- 04:10 AM GROMACS Feature #2451: Linear virtual sites with fixed distance
- Even worse, with version 2018, the virtual site construction throws an error that cannot be circumvented. I haven't t...
- 06:34 PM GROMACS Feature #2451: Linear virtual sites with fixed distance
- To follow up on this issue, I have tried to do what Berk suggested with 3fd construction, and it indeed works just fi...
- 12:49 AM GROMACS Feature #1168 (In Progress): g_density does not do what users think it does, given PBC over z and constant pressure simulation
- Updating status to reflect Chris' latest comment about the issue still persisting.
- 04:05 PM GROMACS Revision c7830c47: Made conversion of Drude bonds to hyperpolarization cleaner.
- 04:04 PM GROMACS Revision ad1cbe41: Fixed LP pair/exclusion generation and updated LP
- construction constants for disulfides.
- 02:08 PM GROMACS Feature #2622: Reduce severity of Berendsen warning
- Mark Abraham wrote:
> Justin Lemkul wrote:
> > I have noticed in the latest version that any use of Berendsen coupl...
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