Dear all,
I have done two similar MD simulations with a 300 a.a. protein in explicit
solvent with different equilibration time.
The first equilibration time was 20ps and the second was 40 ps (from 0 K to
300 K) and then I got completely two different results after 15ns MD
simulations.
Is it normal to obtain such results? How long should be sufficient for such
system to be equilibrated?
Any help would be greatly appreciated.
Regards,
M. Reza
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Received on Mon Aug 23 2010 - 02:30:03 PDT
