Re: [AMBER] problem with gas-phase MD simulation in Amber8.

From: marta wiśniewska. <m.wisniewska.aol.pl>
Date: Fri, 18 Mar 2011 15:20:17 -0400 (EDT)

you have right,


thanks a lot. I didn't pay attention for this.


best regard, martha.



-----Original Message-----
From: Jason Swails <jason.swails.gmail.com>
To: AMBER Mailing List <amber.ambermd.org>
Sent: Fri, 18 Mar 2011 16:14
Subject: Re: [AMBER] problem with gas-phase MD simulation in Amber8.


2011/3/18 marta wiśniewska. <m.wisniewska.aol.pl>

> I do it. but I got in output file info:
>
> Number of triangulated 3-point waters found: 0
> Must have more residues than processors!
>

This is a pretty clear error message. Use fewer processors.

Good luck,
Jason

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Fri Mar 18 2011 - 12:30:10 PDT
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