Re: [AMBER] Implicit water for MD studies

From: Shreeramesh <shreeramesh.gmail.com>
Date: Thu, 7 May 2015 03:45:58 -0700

Dear Sir,

Many thanks for your suggestion and helped me to fix the error
Thank you

Thanks & regards

*Dr. Ramesh M*
Email: shreeramesh.gmail.com
Mobile: (91) + 9646469938 (27) + (0) 844556164


On Mon, May 4, 2015 at 5:41 AM, Jason Swails <jason.swails.gmail.com> wrote:

> On Mon, May 4, 2015 at 5:58 AM, Debayan Chakraborty <debayan.ch.gmail.com>
> wrote:
>
> > I think you should check your amber input files. Why is it ntb set to 1
> in
> > heat.in ? It should always be set to zero for implicit solvent
> simulations
> > !
> >
>
> ‚ÄčThis is good advice. I highly recommend checking your input files before
> using them. Not only does ntb need to be set to 0, but igb needs to be set
> to the appropriate GB model for your study.
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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>
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Received on Thu May 07 2015 - 04:00:03 PDT
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