Hi everyone
I was going through the tutorial for reweighing aMD
Then I came across a point on tutorial
The current reweighting scheme using cumulant expansion to the 2nd order is limited to aMD simulations of small systems, e.g., proteins with 10 - 40 residues. For larger proteins with more than 100 residues, the energetic noise would be too high for accurate reweighting. Further research has been focused on reducing such energetic noise in simulation of large proteins.
As my protein is having around 400 residue then which scheme I should use for reweighing it.
Thanking you,
AT
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Aug 08 2016 - 12:30:02 PDT
