[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
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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