[gmx-users] Error using double precision

edvin.erdtman at nat.oru.se edvin.erdtman at nat.oru.se
Mon Aug 20 10:17:03 CEST 2007

>edvin.erdtman at nat.oru.se wrote:
>> I installed both double and single precision gromacs on a new system. When running a membrane MD with double precision 8 processor mpi calc, this error appars in the error output file:
>this usually means you have an unequilibrated system.

But it worked with single precision! Or do I need to make a energy minimization first in DP?

Fil. Mag. Edvin Erdtman
Biofysikalisk kemi
Naturvetenskapliga instutitionen
Fakultetsgatan 1
Örebro Universitet
S-701 82 Örebro, Sweden
Tel: +46 19 30 36 69

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