Re: [gmx-users] Pressure coupling appears to produce errors on the P655+ aix 5.2

Arthur Roberts wrote: Hi, All, I would like to thank Carsten Kutzner, Erik Lindahl, and David van der Spoel for their advise with my previous problem with not getting any data with mdrun. It turned out to be due to the fourier spacing and the PME order. In addition, David van der Spoel's sugge

[gmx-users] Pressure coupling appears to produce errors on the P655+ aix 5.2

Hi, All, I would like to thank Carsten Kutzner, Erik Lindahl, and David van der Spoel for their advise with my previous problem with not getting any data with mdrun. It turned out to be due to the fourier spacing and the PME order. In addition, David van der Spoel's suggestion of using a water s