[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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