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Ahmet Yildirim

  • Registered on: 03/17/2017
  • Last connection: 05/06/2017

Issues

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05/06/2017

08:03 AM GROMACS Bug #2141: Each new invocation of mdrun needs it's own setting to use MPI on 28 cores
I don't think that the issue is about multiple assignment (using one atom index twice in the intermolecular_interacti...

04/22/2017

07:21 AM GROMACS Bug #2165 (Rejected): GROMACS-2016 gives the domain decomposition error when doing free energy calculation with MPI
Hi,
I had submitted a bug report (http://redmine.gromacs.org/issues/2141) about the simulation of "ligand decoupli...

03/17/2017

05:52 PM GROMACS Bug #2141: Each new invocation of mdrun needs it's own setting to use MPI on 28 cores
Hi,
If you use @gmx grompp -p complex -c complex.gro -f em.mdp -o em.tpr -maxwarn 2@, then the you can run the mdr...
02:58 PM GROMACS Bug #2141 (Rejected): Each new invocation of mdrun needs it's own setting to use MPI on 28 cores
Hi,
I was trying to do the free energy calculation on GROMACS but I came across the Software inconsistency error. ...

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