[gmx-users] self assembly of protein
Mark.Abraham at anu.edu.au
Mon Feb 6 15:53:33 CET 2006
Pednekar Deepa V. wrote:
> Hello all,
> I want to carry out MD simulations to study self assembly of a peptide (34
> residue). Can anyone please let me know the best way of doing it?
There is no simple answer to this question. First, read the literature
on self assembly of peptides find out if anybody has done it for a
system anywhere near this large. Then, if the idea still seems
reasonable, find out how to do MD on normal systems. Then, assemble vast
amounts of computer time, and hope it works.
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