[gmx-users] mdrun -rerun

David van der Spoel spoel at xray.bmc.uu.se
Wed Jun 19 18:28:09 CEST 2002

On Wed, 19 Jun 2002, Alan Wilter Sousa da Silva wrote:

>Hi List!
>	I'm wondering about -rerun option.
>	I did a long simulation but I didn't specify energy groups (whole
>system taken).  To correct this without rerunning all again, I'm thinking
>(after GMX Manual) about creating energy groups in the mdp file, then run
>grompp and afterwards 'mdrun -rerun' over the previous xtc file.  Should
>that work?
Yes, but your statistic will not be as good...

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://zorn.bmc.uu.se/~spoel

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