[AMBER] Protein-ligand simulation and help w.r.t files for carrying out simulation

From: Renato Araujo <renatoacufpa.gmail.com>
Date: Wed, 11 Sep 2019 19:06:04 -0300

Dear all,
I am interested in running a 30ns simulation of a protein-ligand
complex to observe
the stability of the same.
I am relatively new to AMBER and having difficulty in finding a proper tutorial
for latest version of Amber18.
As i understand, we need to prepare the ligand and protein co-ordinate and
topology files (using ambpdb, pdb4amber and antechamber). After which, we
need to obtain the same for the complex.

It would be of great help, if someone could point me in the right direction
or share the work flow for the simulation.

Thank you,
AMBER mailing list
Received on Wed Sep 11 2019 - 15:30:02 PDT
Custom Search