[AMBER] query regarding neutralisation of protein before minimisation

From: <nicee.srivastava.imtech.res.in>
Date: Sat, 23 Jan 2010 16:31:22 +0530 (IST)

Hello,

I am having a protein which is negatively charged. the protein has 9 Ca+binding
motif and I want to check whether it is of Ca+2 binding or not. So i want to
simulate it in presence of Ca++ ions. Should I neutralize the protein before
minimization or not.

Thanking you.

With due regards,
Nicee.
IMTECH,
Chandigarh,
India.

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Received on Sat Jan 23 2010 - 03:30:02 PST
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