From: Shozeb Haider <>
Date: Mon, 18 Dec 2006 12:57:17 -0500


I am trying to perform MM-PBSA calculations on an MD run (10ns). I have
been reading several protocols and I was wondering about 2 things.

1. How would my calculations differ if I take snapshots every 250ps over
the last 8ns instead of snapshots taken at 10ps interval during the last
2ns of my simulations ?

2. Why is latter the preferred method ?

I shall extremely grateful to make me understand this point.

Best wishes

Shozeb Haider
The London School of Pharmacy
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Received on Wed Dec 20 2006 - 06:07:22 PST
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