[gmx-users] Re: Essential Dynamic analysis

Justin A. Lemkul jalemkul at vt.edu
Mon Aug 8 14:27:57 CEST 2011

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:



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
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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