[gmx-users] PBC problem in bilayer system

shahab shariati shahab.shariati at gmail.com
Mon Sep 15 21:12:34 CEST 2014

Dear Justin

Thanks for your answer.

You said " The raw output of g_traj in this case is not very useful "

I want to know position and location of drug molecules relative to the DPPC
bilayer during simulation time.

In your opinion, how should I use this tool (g_traj)?

Is g_dist appropriate for obtaining distance between center of mass of the
drug molecules and DPPC lipid bilayer as a function of simulation time?

Best wishes.

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