AMBER Archive (2008)

Subject: AMBER: is in vacuo simulation neccessary?

From: Anamika Awasthi (
Date: Mon May 26 2008 - 00:18:58 CDT

Dear Friends,
           Is this essential that we should do in vacuo simulation before
molecular dynamics ina water box?
           What is the significance of this? in some particular situation
(if protein is very big) can we skip this?

        Thanks in advance

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