[gmx-users] grompp_d precision

Priscila Capriles priscilacapriles at gmail.com
Fri Feb 24 01:57:35 CET 2006

Dear all,

I started a molecular dynamic in a PC 32bit and needed to continue in a PC
64bit but, when I use grompp_d to prepare *.tpr file, I receive this error
Fatal error: Not enough ref_t and tau_t values!

But my *.mdp file don't present any error:
tcoupl               =  berendsen
tc_grps              =  Protein SOL Na
tau_t                =  0.1 0.1 0.1
ref_t                =  298 298 298

When I run since the beginning of MD as in PC 32 bit so as in PC 64 bit this
problem disapear.

Is possible that the problem be only machine precision, or anything

Thank's for all,
Priscila Capriles Goliatt
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