Hi,
I should run it by using mdrun_mpi?
best
Urszula
> Hello,
>
> From my experience, the domain decomposition is not compatible with
> implicit solvent, you have to switch
> to particle decomposition for the simulations.
>
>
> All the best,
> Qinghua
>
> On 01/05/2018 12:40 PM, Urszula
Hello,
From my experience, the domain decomposition is not compatible with
implicit solvent, you have to switch
to particle decomposition for the simulations.
All the best,
Qinghua
On 01/05/2018 12:40 PM, Urszula Uciechowska wrote:
Hi,
I just run a normal single-replica. Now the error
Hi,
I just run a normal single-replica. Now the error that I have is:
Program mdrun_mpi, VERSION 4.5.5
Source code file: domdec.c, line: 3266
Software inconsistency error:
Inconsistent DD boundary staggering limits!
For more information and tips for troubleshooting, please check the GROMACS
Hi,
Did you try to debug your setup by running a normal single-replica
simulation first?
Mark
On Fri, Jan 5, 2018 at 12:12 PM Urszula Uciechowska <
urszula.uciechow...@biotech.ug.edu.pl> wrote:
>
>
> Dear gromacs users,
>
> I am trying to run REMD simulations using 4.5.5 version (implicit
>
