As I said in my previous message, please post all Gromacs-related correspondence
to the gmx-users list. I am not a private tutor. I am CC'ing this message to
the list and ask that all further discussion be posted there.
ED (or PCA) is a post-processing analysis procedure. There are details in the
Gromacs manual and on the Gromacs site:
http://www.gromacs.org/Documentation/Terminology/Principal_Components_Analysis
-Justin
fatemeh yadegari wrote:
hi
I need essential dynamic analysis . do I have to added an option this
command for essential dynamic analysis
mdrun -s x.tpr -o x.trr -x x.xtc -c x.gro -g x.log -e x.edr
thanks a lot
--
========================================
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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