[gmx-users] The precision from gmxdump

[David]

On Fri, 2005-08-05 at 09:16 -0700, Tanping Li wrote:
> Dear all,
> 
> I am donging a long double precision run of protein
> system. I noticed that the *.gro file from the
> simmulation is only in 3 demical places, so I extract
> the gro file from trr by myself using -ndec 15. Then,
> I use grompp to prodece tpr file. Is the procedure
> correct?
> '
Use g96 files.
You can also use tpbconv to produce new tprs, or grompp -e -t

> But when I check the *.tpr file by gmxdump, I find the
> precison is only in 5 demical places. I feel a little
> bit neverous. appretiate your help.
The dump only shows limited precision but it is there.


> 
> 
> Best
> Tanping
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. 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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