杜波 wrote:
dear teacher,
i read the groace_manual-4.5.4:
i found "The time between the reference points for the MSD calculation
is set with -trestart."
and "the defaut is 10ps."
do it computer the "msd" like this :
0ns compared with "-beginfit to -endfit "
10ns compared with "-beginfit to -endfit "
20ns compared with "-beginfit to -endfit "
30ns compared with "-beginfit to -endfit "
....
Please consult the following:
http://lists.gromacs.org/pipermail/gmx-users/2010-July/052512.html
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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