[gmx-users] Atom type
David van der Spoel
spoel at xray.bmc.uu.se
Tue Nov 11 12:14:01 CET 2003
On Tue, 2003-11-11 at 11:12, Nguyen Hoang Phuong wrote:
> Dear All,
>
> I use double precision in my simulations. However, if I use gmxdump_d to
> see the trajectory files, the coordinates or velocities only have 5
> digits. Is it correct?
xtc only has picometers
trr has more, but they may not be printed.
In that case you can modify the file gmxlib/txtdump.c at line 165
>
> Thanks,
>
> Phuong
>
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--
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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