Re: [AMBER] mmpbsa analys

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 2 Jun 2016 13:44:20 -0400

You didn't give any specific details about what you did, which makes it a
lot more difficult to give advice.

My suggestion is to check the contents of _MMPBSA_complex_pb.mdout.0 (or
_MMPBSA_complex_gb.mdout.0 if you are doing GB analysis) and look for an
error message there. If you search for *that* error message, you should
hopefully get more helpful results from searching.

HTH,
Jason

On Thu, Jun 2, 2016 at 1:05 PM, Ziba Bahadori <ziba_bahadori.yahoo.com>
wrote:

> hi every bodyI want run mmpbsa analys with amber 12 but I faced with this
> error failed prmtop complex.prmtop
> I search this error and Due to the presence of residue in the complex is
> phosphorylated and I dont know how I can fix itcan you guidance me
> Phosphorylated residue in my complex is TPO and SEP
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-- 
Jason M. Swails
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Received on Thu Jun 02 2016 - 11:00:02 PDT
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