[gmx-users] pseudo-random algorithm

[Roland Schulz]

Hi,

Gromacs < 5.0 uses a Mersenne twister. See gmx_random.h. Starting with 5.0
it uses Random123 threefry2x64. Why do you think your results are affected
by the PRNG?

Roland

On Wed, Oct 29, 2014 at 6:23 PM, Johnny Lu <johnny.lu128 at gmail.com> wrote:

> Hi.
>
> Before I start to feel optimistic about my alanine tripeptide simulation,
> can I know
>
> which pseudo-random number algorithm does my installation of gromacs 4.6.6
> use?
>
> It was installed on linux centos 5 with kernel 2.6.32-220.7.1.el6.x86_64,
> and the machine has 12 intel cpu and no gpu.
>
> I was using the V-rescale thermostat.
>
> Thanks again.
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