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


--
========================================

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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