[gmx-users] g_hbonds calculation on GPU

[Erik Marklund]

Dear Rraj,

Nope. No-one has made GPU support for gmx hbond (or any other analysis tool as far as I know).

Kind regards,
Erik
______________________________________________
Erik Marklund, PhD, Marie Skłodowska Curie INCA Fellow
Department of Chemistry – BMC, Uppsala University
+46 (0)18 471 4539
erik.marklund at kemi.uu.se<mailto:erik.marklund at kemi.uu.se>

On 9 Aug 2017, at 14:16, Rituraj Purohit <riturajpurohit at gmail.com<mailto:riturajpurohit at gmail.com>> wrote:

Hi Everyone,
I would like to run g_hbons calculation on GPU boards. I could only find
--nthreads option to fasten my calculations, Is it possible to use GPU
boards for this like mdrun.
reg
Rraj
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