[gmx-users] MD duration

Алексей Раевский rayevsky85 at gmail.com
Wed Oct 19 09:01:00 CEST 2011

Hi all.
I want to ask you a question about the length of dynamics. Is it enough to
set time at 3-5ns to see the motion and affinity of the ligand  (nucleotide
derivate) the protein's domain size is nearly 200 aminoacids. The protein
was optimized earlier. Moreover, is it enough for drug design screening to
compare such derivatives?
Thank you!


Nemo me impune lacessit*
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