From: SUBHA KALYAANAMOORTHY (skalyaanamoorth_at_students.latrobe.edu.au)
Date: Sun Nov 14 2010 - 23:12:11 CST
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,
Department of Computer Science and Computer Engineering,
La Trobe University,
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