Re: [gmx-users] Converting a tpr file to an older version of gromacs

2020-04-10 Thread Mariem Ghoula
> > Paul > > On 09/04/2020 17:24, Mariem Ghoula wrote: > > Hi, > > > > I would like to use g_mmpbsa on my protein-protein complex simulation. > > However, after a few errors with the module due to tpr files version > > mismatch and after reading some posts w

[gmx-users] Converting a tpr file to an older version of gromacs

2020-04-09 Thread Mariem Ghoula
Hi, I would like to use g_mmpbsa on my protein-protein complex simulation. However, after a few errors with the module due to tpr files version mismatch and after reading some posts with the same issue, I came to the conclusion that I need to convert my tpr file to an older version. Can you please

[gmx-users] Unexpected cudaStreamQuery failure: unspecified launch failure

2020-02-18 Thread Mariem Ghoula
Hi, I had this error while I was performing a short (1 ns) simulation. It seems to be related to the Nvidia driver. Can anyone please help me understand why I'm having this error? My system is a Ubuntu 18.04.4 LTS with cuda-toolkit version 9.1.85, nvidia driver version 410.78. I had this error: