[gmx-users] simulating in double precision but writing in single precision

Milton Taidi Sonoda msonoda at iqm.unicamp.br
Tue Jul 20 16:18:02 CEST 2004

Hi all

I'm using gromacs version 3.2.1.
I'm simulating a system under NVE ensemble, and in order to
conserve energy I have to do that in double precision.
However in the analisys I'm performing, wave length dependent
dielectric response, the double precision configuration is not
necessary, and also the OS (freeBSD 4.7) I'm
using do not support the big trr files produced.
Moreover, sadly vmd (at least the version I have, which is 1.7.1)
do not read trr in double precision.

Is it possible to simulate in double precision but writing the
trajectory in single precision?

If not, anyboby has an advice/hint on thise issues?

Thank you in advance
Milton Taidi Sonoda

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