Re: [gmx-users] mdrun don't write a checkpoint file

..@vt.edu> Gesendet: Donnerstag, 6. Oktober 2016 15:33 An: gmx-us...@gromacs.org Betreff: Re: [gmx-users] mdrun don't write a checkpoint file You're doing energy minimization. There is no checkpointing in EM. As an aside, you also did not provide accurate information in your previous messag

Re: [gmx-users] mdrun don't write a checkpoint file

On 10/6/16 8:23 AM, Menig, Simon wrote: Thank you for your fast answer Justin I looked up the log files but I found no error and my disc space is sufficient and the simulation seem to end normal. Could the Problem be that my Simulation time is shorter than 15 min (max 5000 steps) ?

Re: [gmx-users] mdrun don't write a checkpoint file

ul <jalem...@vt.edu> Gesendet: Donnerstag, 6. Oktober 2016 13:55 An: gmx-us...@gromacs.org Betreff: Re: [gmx-users] mdrun don't write a checkpoint file On 10/6/16 7:41 AM, Menig, Simon wrote: > Hi, > > > I am new to GROMACS and I wanted to run a Coars-Grain simulation but gmx > md

Re: [gmx-users] mdrun don't write a checkpoint file

On 10/6/16 7:41 AM, Menig, Simon wrote: Hi, I am new to GROMACS and I wanted to run a Coars-Grain simulation but gmx mdrun doesn't write a checkpoint file and I found no solution for my Problem in the Docs or Internet. I hope someone can help me with this problem, I need this files for

[gmx-users] mdrun don't write a checkpoint file

Hi, I am new to GROMACS and I wanted to run a Coars-Grain simulation but gmx mdrun doesn't write a checkpoint file and I found no solution for my Problem in the Docs or Internet. I hope someone can help me with this problem, I need this files for extending my Simulation (similar to Lysozyme