[AMBER] MD simulation by amber

From: Atila Petrosian <atila.petrosian.gmail.com>
Date: Tue, 4 Oct 2016 09:52:25 -0700

Dear amber users,

Hi, I want to do molecular dynamic simulation with amber. The condition of
my protein-ligand system are following as: my protein has Zn+2 ion in the
active site which three histidine coordinate with it by covalent bond. Also
my ligands are sulfonamide and have -1 charge on nitrogen atom which are
oriented from nitrogen atom toward zinc ion in the active site of the
protein.

I wonder if you recommend me a suitable amber tutorial for such kind of
system I explain.

Regards,

Yeganeh
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Oct 04 2016 - 10:00:02 PDT
Custom Search