Re: [AMBER] MMPBSA calculation of a zinc-enzyme

From: zhihong ke <ebelleke.gmail.com>
Date: Thu, 2 Dec 2010 13:33:31 -0700

Thank you for your respond.
The "1..850" was a typo in my email. In the parameter file, it is "1.850".

For the Cl-, the IM is the only atom type I found in the parm94.dat.
Did I miss anything?

And any suggestion for "PB bomb in pb_reslist(): maxnbr too small" issue?

Best,

Zhihong
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Received on Thu Dec 02 2010 - 13:00:02 PST
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