[AMBER] simulation replication

From: kanika singal <singalkanika1.gmail.com>
Date: Mon, 26 Dec 2011 16:08:08 +0530

Dear AmberUsers,

I want some type of clarification regarding the simulation replication.

Suppose, I have done 3 independent 10 ns simulation using the same starting
structure but different ig value (random seed number). Would i call this a
30ns simulation and plot the results (rmsd) on a 30ns scale or should i
call it as a 10ns simulation and plot the results on a 10 ns scale.

Independent replication simulation essentially means to explore more
solution space and thus can it be called a 30ns simulations.

Thanks and Regards,

Kanika Singal
AMBER mailing list
Received on Mon Dec 26 2011 - 03:00:02 PST
Custom Search