- Email: firstname.lastname@example.org
- Registered on:
- Last connection: 06/20/2019
- 07:03 AM GROMACS Feature #2910: Mixed scaling for 1-4 interactions
- Do you mean this version by 'latest' https://pypi.org/project/acpype/
- 07:33 PM GROMACS Feature #2910 (New): Mixed scaling for 1-4 interactions
Some forcefield like Glycam uses fudgeQQ and fudgeLJ as 1.0. However this forcefield supposed to be compatible...
- 09:23 PM GROMACS Bug #2827 (Closed): gmx tune_pme segfaults while trying to run benchmark
I'm trying to run gmx tune_pme using 2019 release and seems it segfaults
I'm running it through slurm
- 02:25 PM GROMACS Revision 6c2eb228: Disable -Wno-missing-prototypes
- The warning is valid for C++
The -Wno-missing-prototypes flag is valid for C++ files with clang,
but not with other ...
- 01:38 PM GROMACS Bug #2707 (New): Installed OpenCL files include clh file from gpu_utils directory
Seems install target br0ken for opencl. Gromacs was installed on gentoo with amd-opencl-pro for opencl
- 03:20 PM GROMACS Task #2658: Secondary structure assignment via DSSP as native gromacs code
Does someone already working on native dssp code?
- 02:10 AM GROMACS Revision a5d9f399: Add basic operations for gmx::BasicVector<>
- 1. Overload +,-,+=,-= operations for BasicVector
2. Add class methods for dot,cross products, scale, unitv, length,
- 10:06 PM GROMACS Task #2442: Port gmx saxs and gmx sans to c++
- I have some implementation of
4. Ability to calculate excess scattering by subtracting a solvent scattering curve (t...
- 12:08 AM GROMACS Revision c23d666e: Fix build with cmake 3.10 on Linux
- Without this fix cmake will fail with at least on Gentoo
- 02:50 PM Support Platforms Feature #2099: sharing accounts/credentials
- Well, there is some simple way (at least how its done in gentoo linux):
Account info storred in file encrypted wit...
Also available in: Atom