[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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