AMBER Archive (2005)

Subject: AMBER: Protein with structural ions

From: Kara Wald (kdigiorgio_at_sbcglobal.net)
Date: Tue Apr 05 2005 - 16:29:46 CDT

I'm beginning to run a protein/inhibitor and noticed that after an
initial minimization with implicint solvent, the structural zinc and
calcium atoms seemed to "float" away from the protein. Is there a way
to stop this in an uncomplicated way?

Thanks,

Kara Di Giorgio

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