Dmitry Lupyan wrote:
Hello Gromacs Users,
I have a 60ns trr trajectory file (converted with VMD from namd2
trajectory) which has 6000 snapshots saved at 10 ps intervals. how do
I specify the snapshot interval to g_msd so it calculates the D
properly?
Which option are you referring to? The only one I can think of is -trestart,
which has nothing to do with frame interval, but is related to statistics. You
shouldn't have to tell any of the Gromacs tools what the frame interval is; if
you have a valid trajectory, that information is already present.
-Justin
-dima
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
ICTAS Doctoral Scholar
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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