Gromacs is totally compatible with nvidia based gpu. You need to install
cuda drivers and you can build easily with cmake. For amd gpu you would be
needing openCL alongwith the sdk for amd gpu. I would suggest you to use
nvidia acceleration for better performance.
On Sat, Apr 18, 2020, 4:42 AM
I have tried the same few days back but it didn't work. I have been using
gromacs 2018.1 earlier and then switched to 5.1.4 and it didn't work.
On Fri, Apr 10, 2020, 6:43 PM Ashma Khan wrote:
> Dear all,
> I have run my simulation on gromacs 5.1.4 for 200ns but now I want to
> extend my
eally appreciated.
>
> Thanks.
>
> Sadaf
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&g
an
error while i add ions that "Atomtype CAro not found", although i have
added the atomtypes in the gromacs topology file still it's showing the
same error. I request if somebody could provie me a stepwise protocol i
could follow.
Thank you
--
Faisal Nabi
*Pre-Doctoral Fellow (CSIR
