[gmx-users] gmxdump question
David
spoel at xray.bmc.uu.se
Tue Dec 24 19:44:11 CET 2002
On Tue, 2002-12-24 at 20:38, Dmitry Kovalsky wrote:
> Hi there
>
> Mary Christmas to everybody and Happy New Year!
>
> if I do a simulation from tpr file that was produced by tpbconv after a crash.
>
> How I can get an info from the file using gmxdump about initial nsteps not
> those left. If I use gmxdump -s mol_2.tpr|grep nsteps
just do gmxdump -s mol_2.tpr | more
you will see all the information in there, initial steps is not a
variable, but init_t (time) is.
> it gives me only the number of remained steps.
>
> Dima
>
> --
> Sincerely yours,
>
> Ph.D. Student Dmitry Kovalsky
> Institute of Molecular Biology & Genetics
> 150 Akad. Zabolotnogo Street,
> Kiev-143, 03143
> UKRAINE
>
> E-mail: dikov at imbg.org.ua
> Fax: +380 (44) 266-0759
> Tel.: +380 (44) 266-5589
>
>
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--
Groeten, David.
________________________________________________________________________
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://xray.bmc.uu.se/~spoel
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