[gmx-users] Energy via residue

[Justin A. Lemkul]

afsaneh maleki wrote:
> Hi all,
> 
> How do i obtain  the protein van der waals  and electrostatic energies  
> with bilayer via  residue?
> 
> 

Set the appropriate energygrps in the .mdp file and use mdrun -rerun.  Note that 
if you specify lots of groups you will have that number, squared, written to the 
energy file.

-Justin

> 
> highly appreciate!!
> 
> Afsaneh
> 

-- 
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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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