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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