Jennifer Williams wrote:
A very quick question.
Can someone confirm that atomic coordinates are stored as in the
traj.xtc file in units of nm (as opposed to Angstroms)?
I am trying to figure out whether or not in the g_msd program reads in
nm or Angstroms. The standard output of the xy graph is nm2 and ps. I
can't see that the units are being divided by 10 in the g_msd code so I
am guessing the traj.xtc feeds in the units in nm. Just want to be sure...
Standard units are given in Chapter 2 of the manual. For distances,
coordinates, etc everything is in nm.
You can also use gmxdump to convince yourself of this fact.
-Justin
Thanks
--
========================================
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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