[gmx-users] temperature too low
David van der Spoel
spoel at xray.bmc.uu.se
Tue Feb 26 19:58:38 CET 2002
On Tue, 26 Feb 2002 w.j.schravendijk at students.pharm.uu.nl wrote:
>It seems that the simulation has run correctly, but that g_traj generates
>the wrong output. Is there any way I could fix this? Are there other
>g_** programs that are vulnerable for the value of the degrees of freedom?
Apparently g_traj has no knowledge about degrees of freedom. You can
however extract temperatures from the energy file using g_energy.
Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://zorn.bmc.uu.se/~spoel
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