Re: [AMBER] Problem with NaN and Asteriks

From: Jorge Curima <curimax.07.gmail.com>
Date: Tue, 17 Jul 2018 17:44:07 -0300

Thanks for answering Bill.

Here I attach a compressed file with all the ".in" files

On Tue, Jul 17, 2018 at 4:24 PM Bill Ross <ross.cgl.ucsf.edu> wrote:

> To debug, first see where the values go off he rails.
>
> What equilibration was used? E.g. post min.in, md.in files.
>
> Bill
>
>
> On 7/17/18 11:59 AM, Jorge Curima wrote:
> > Hello, I'm a student at the Universidad Tecnologica Nacional - Facultad
> > Regional Resistencia in Resistencia, Argentina.
> >
> > I'm helping a Chemistry Research Group at my University.
> >
> > We are working with Amber 14 on a Debian 8.5 Server System.
> >
> > We are having trouble with certain calculation. I attach an Image of the
> > Issue.
> >
> > I don't know if there is a certain format to post a question or issue,
> so I
> > apologize in advance, and hope if there is some, I would be grateful if
> > someone could notice me about it.
> >
> > Thanks in advance.
> >
> >
> > _______________________________________________
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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Tue Jul 17 2018 - 14:00:02 PDT
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