> Date: Sat, 25 Feb 2012 11:42:39 -0500
> From: case.biomaps.rutgers.edu
> To: amber.ambermd.org
> Subject: Re: [AMBER] md sticking!
>
> On Sat, Feb 25, 2012, amir abbasi wrote:
> >
> > In some cases of simulation,sticking occurred in the last stage of
> > equilibration as occurred in main MD simulation as mentioned in the
> > first message.
>
> Do you get any output at all? Is there a chance that you are either running
> this in parallel, or on a queuing system (where you might miss some error
> messages)? What happens when you set nstlim=100 and ntpr=1, as suggested
> earlier?
>
> ...dac
>
Dear Dr. Case,
As you said i put the nstlim =100 and ntpr =1. in this case,simulation run successfully but when i increase the nstlim thats problem came back! in mdout file nothing was wrong!
what should I Do?
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Received on Sun Feb 26 2012 - 03:30:02 PST
