[gmx-users] The precision from gmxdump

David spoel at xray.bmc.uu.se
Fri Aug 5 20:15:25 CEST 2005

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
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
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

More information about the gromacs.org_gmx-users mailing list