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AMBER Archive (2000)Subject: Xtal Waters and SolvateBox
From: Javier De Las Rivas (Javier.Rivas_at_physbio.mssm.edu)
A QUESTION ABOUT xleap and sander of AMBER7.0
I want to create with xLEAP a solvateBox around a protein that has 600 water
How can I do that?
I have tried several times and xLEAP is not properly handeling the waters of the crystal.
Could you give me some answer to this problem
Dr. Javier De Las Rivas
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