[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

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Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
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