[gmx-users] about the time of rerun

David spoel at xray.bmc.uu.se
Wed Oct 16 19:15:08 CEST 2002

On Wed, 2002-10-16 at 09:58, xu yechun wrote:
Dear all,
    I use "mdrun -s file.tpr -rerun file.trr -e file.edr" to calculate
the energy of one trajectory. It is surprising that the time for this
process is almost the same as original process"mdrun -s file.tpr -o
file.trr -e file.edr". Is it normal?I get confused.

Depends on how often you saved the original trajectory, and on the speed
of your disk.
Thank you in advance !
Xu yechun

Chat with friends online, try MSN Messenger: Click Here 
_______________________________________________ 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.
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

More information about the gromacs.org_gmx-users mailing list