simulating Acetylated lysine substrate complex

From: SUBHA KALYAANAMOORTHY (skalyaanamoorth_at_students.latrobe.edu.au)
Date: Sun Nov 14 2010 - 23:12:11 CST

Hi there,

Good Day!

I need to carry out a simulation of a protein that has an acetylated lysine as substrate [ALY] and the ACE group [product] as a part of the pdb file. I tried generating the psf file but, it shows unknown residue ALY and ACE. Although, i added a topology file ACE generated through the swissparm site, i get the same error. FYI, I used the top_all27_prot_lipid topology file for psf generation.

Any suggestions would be greatly appreciated,

Thanks,

Subha Kalyaanamoorthy,
PhD Researcher,
Department of Computer Science and Computer Engineering,
La Trobe University,
Bundoora, Australia.
skalyaanamoorth_at_students.latrobe.edu.au

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:54:45 CST