[gmx-users] single X double precision

[Luciane Vieira de Mello]

Dear all,

It is maybe a naive question, but since I am reinstalling Gromacs in my
machine, it would be nice to better understand the difference in results
we get when using a single or double precision. Is double better but
slower? I get the impression we hardly use double precision, by the bit "
you never know when you might need.." in the sentence:

"Once the whole installation is complete it is a good idea to install a
double precision version of FFTW too - you never know when you might need
it. Remove the previous configuration by writing"

Thanks for your help.

Luciane

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|                  Dra. Luciane Vieira de Mello Rigden                    |
| e-mail: mello at cenargen.embrapa.br                                       |
| Embrapa Recursos Geneticos e Biotecnologia                              |
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