Several messages that I sent yesterday look like they never made it to the list,
for some reason. Sorry if this is a double-post, just trying to get the reply
out there...
Aswathy wrote:
Dear Gromacs users,
I want to find the electrostatic interaction energy between ligand and
protein, water and ligand during SMD of the ligand through the channel.
I have used g_energy but, I need to plot the energy against Z axis of
the channel.
Could you please help me.
Use g_traj to extract the z-coordinate of the ligand, then you can plot energy
vs. coordinate.
-Justin
Thanks in advance,
--
Aswathy
--
========================================
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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