AMBER: is in vacuo simulation neccessary?

From: Anamika Awasthi <aawasthi28.gmail.com>
Date: Mon, 26 May 2008 10:48:58 +0530

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
         Anamika

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Received on Wed May 28 2008 - 06:07:24 PDT