General

Profile

Arthur Zalevsky

Issues

Activity

10/30/2018

06:13 PM GROMACS Task #2569: announce deprecations in GROMACS 2019
Mark Abraham wrote:
> Arthur Zalevsky wrote:
> > We tried to have a few full gmx builds and several mdrun-only buil...
12:54 PM GROMACS Task #2569: announce deprecations in GROMACS 2019
We tried to have a few full gmx builds and several mdrun-only builds, but in the end, it wasn't as convenient as we e...
12:42 PM GROMACS Task #2706: Rework classic QM/MM interface
While low-level routines are still present (which are more or less the same in case of every interface) I think it's ...
09:38 AM GROMACS Bug #2711: Wrong Br and FE parameters in amber forcefields
Here's the part from original parm99.dat...

10/26/2018

03:32 PM GROMACS Bug #2711 (Closed): Wrong Br and FE parameters in amber forcefields
Br and FE are missing sigma and epsilon parameters defined in ffnonbonded.itp in amber forcefields.
Due to the fo...

12/11/2013

06:23 PM GROMACS Bug #1402 (Closed): Error compiling 5.0-beta1 with CUDA and gcc >= 4.6
I've got an issue compiling 5.0-beta1 version with CUDA.
With gcc 4.4 everything works fine, but with 4.6-4.8 I've...

02/02/2012

02:42 PM GROMACS Bug #878 (Closed): unify GROMACS header printing
OS: Ubuntu 11.10 x86
Package: gromacs-4.5.4 from distro repos
Most utilites prints GROMACS header ( text begins w...

Also available in: Atom