AMBER: Can constant pH be used for minimization?

From: Kenley Barrett <kenley.barrett.gmail.com>
Date: Fri, 10 Jun 2005 16:34:41 -0500

Dear Amber users,

I just did a minimization of a large protein in which I tried to run
constant pH; the minimization appeared to work fine but the .cpout
file was empty and the .cprestrt file was never generated. Is constant
pH for molecular dynamics runs only?

Thanks for your help,
Kenley
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Received on Fri Jun 10 2005 - 22:53:04 PDT
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