Re: [gmx-users] minimization problem (Martini simulation)

Thank you very much. It worked. Regina Quoting "Justin A. Lemkul" : pol...@fh.huji.ac.il wrote: Dear Justin, Thank you very much for your answer. Can you please explain me what do you mean by saying "EM wasn't sufficient". What information do you need in order be able to help? I run EM wit

Re: [gmx-users] minimization problem (Martini simulation)

pol...@fh.huji.ac.il wrote: Dear Justin, Thank you very much for your answer. Can you please explain me what do you mean by saying "EM wasn't sufficient". What information do you need in order be able to help? I run EM with emtol=60 and I got the following energies: Steepest Descents converge

Re: [gmx-users] minimization problem (Martini simulation)

Dear Justin, Thank you very much for your answer. Can you please explain me what do you mean by saying "EM wasn't sufficient". What information do you need in order be able to help? I run EM with emtol=60 and I got the following energies: Steepest Descents converged to Fmax < 60 in 2256 steps P

Re: [gmx-users] minimization problem (Martini simulation)

pol...@fh.huji.ac.il wrote: Dear Gromacs users and developers, I forgot to note that I'm talking about a Martini simulation. I'm trying to set up simulation. I have a big simulation of something like half million CG atoms. The problem is that I have a minimization problem. I'm getting the fol

[gmx-users] minimization problem (Martini simulation)

Dear Gromacs users and developers, I forgot to note that I'm talking about a Martini simulation. I'm trying to set up simulation. I have a big simulation of something like half million CG atoms. The problem is that I have a minimization problem. I'm getting the following error: Converged to m