Re: [gmx-users] Using GPU to run gromacs 5.1.5

2018-05-17 Thread Justin Lemkul
On 5/17/18 11:18 AM, Sabreen Farnaz wrote: Dear all, Currently I am using GPU acceleration to run Gromacs V5.1.5. Energy groups are still not created for V5.1.5, similar to previous versions, with the message "NOTE: With GPUs, reporting energy group contributions is not supported". My question

[gmx-users] Using GPU to run gromacs 5.1.5

2018-05-17 Thread Sabreen Farnaz
Dear all, Currently I am using GPU acceleration to run Gromacs V5.1.5. Energy groups are still not created for V5.1.5, similar to previous versions, with the message "NOTE: With GPUs, reporting energy group contributions is not supported". My question is if this is supported in more recent version