[gmx-users] energy groups/GPU and 4.6 vs 5.0

Josip Lovrić josip7lovric at gmail.com
Fri Apr 4 09:53:49 CEST 2014


Hello,

I can maybe give you answer on second question. I have used analyzes tool
gmx gangle from 5.0-beta to analyzes trajectories from 4.6.5 and it was OK
for me.

Cheers,
Josip


2014-04-04 9:35 GMT+02:00 michael.b <mbx0009 at yahoo.com>:

>
> two questions:
>
> 1) searching this list if found this comment:
> "NOTE: With GPUs, reporting energy group contributions is not supported"
>
> this was true for version 4.6.1
> is it still the case for 4.6.5 and/or for 5.0-beta?
>
> 2) if i use mdrun-5.0-beta to analzye trajectories produced with 4.6.5
> do i have to expect any kind of issues?
>
> thanks!
> michael
>
>
>
> --
> View this message in context:
> http://gromacs.5086.x6.nabble.com/energy-groups-GPU-and-4-6-vs-5-0-tp5015634.html
> Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>


More information about the gromacs.org_gmx-users mailing list