... and stop using 5.0-rc1!
Mark
On Tue, Jul 22, 2014 at 1:17 AM, Justin Lemkul jalem...@vt.edu wrote:
On 7/21/14, 1:30 PM, ANDRES ADOLFO ORTEGA GUERRERO wrote:
Hi Dear Gromacs Users,
I have been dealing with a problem, i run an MD of my sistem , and i see
problems with my energies due
Hi Dear Gromacs Users,
I have been dealing with a problem, i run an MD of my sistem , and i see
problems with my energies due to one of my molecules is a CNT and has no
charges and its Coul SR are huge, well i though this could be of an error
in my NDX file ,
the thing is that i run my MD in my
Hi i run again the MD, but wtih MD mdrun -nb cpu, in order to check , and
the energy make sense now, how can i get the correct use of Gromacs with
GPU?
i compile it with cuda, and the program recognize the GPU
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