[gmx-users] node decomposition' problem

2012-07-09 Thread Thales Kronenberger
I'm trying to run a kinase (what means that I had ATP - large charged group) energy minimization and then MD. But when I put my protein together with its ligands I gotcha the follow error message: There is no domain decomposition for 6 nodes that is compatible with the given box and a minimum

Re: [gmx-users] node decomposition' problem

2012-07-09 Thread Justin A. Lemkul
On 7/9/12 4:23 PM, Thales Kronenberger wrote: I'm trying to run a kinase (what means that I had ATP - large charged group) energy minimization and then MD. But when I put my protein together with its ligands I gotcha the follow error message: There is no domain decomposition for 6 nodes that

Re: [gmx-users] node decomposition' problem

2012-07-09 Thread Justin A. Lemkul
On 7/9/12 4:25 PM, Justin A. Lemkul wrote: On 7/9/12 4:23 PM, Thales Kronenberger wrote: I'm trying to run a kinase (what means that I had ATP - large charged group) energy minimization and then MD. But when I put my protein together with its ligands I gotcha the follow error message: