[AMBER] Solvation

From: Sindrila Dutta banik <sindrila.duttabanik.yahoo.com>
Date: Mon, 23 May 2011 18:26:42 +0530 (IST)

Hello!!
 
I am a new user of AMBER11.
 
(i) I want to know how to prepare a large box of Bulk water.
(ii) Then immerse a protein in that large box of bulk water.
(iii) Followed by the remove of overlapped water molecules.
 
I have tried the explicit water molecule model. But the model contains the water molecule only the surface of the protein but not in the cavity.
 
Sindrila 
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Received on Mon May 23 2011 - 06:00:03 PDT
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