On 12/12/14 9:19 AM, Yaser Hosseini wrote:
hi
i just want to run
mdrun -v deffnm nvt
i run every command in this tutorials
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/complex_old/index.html
but at the end i got two errors :
There are: 247500 Atoms
Charge group
hi
i just want to run
mdrun -v deffnm nvt
i run every command in this tutorials
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/complex_old/index.html
but at the end i got two errors :
There are: 247500 Atoms
Charge group distribution at step 0: 20986 20508 20732 20838
On 12/8/14 2:36 PM, Yaser Hosseini wrote:
hi gromacs users
i want to run Protein-Ligand Complex but when i want to run this command :
mdrun -deffnm nvt
i got this error
Fatal error:
4 particles communicated to PME node 2 are more than 2/3 times the
cut-off out of the domain decomposition c
hi gromacs users
i want to run Protein-Ligand Complex but when i want to run this command :
mdrun -deffnm nvt
i got this error
Fatal error:
4 particles communicated to PME node 2 are more than 2/3 times the
cut-off out of the domain decomposition cell of their charge group in
dimension x.
This
