> From: amir-abbasi.hotmail.com
> To: amber.ambermd.org
> Date: Sun, 26 Feb 2012 14:51:40 +0330
> Subject: Re: [AMBER] md sticking!
>
>
>
>
> > 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?
>
Dear Dr.Case,
I found that when ions in my system increased sticking of simulation occurred more. why? and what should i do?
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Received on Tue Feb 28 2012 - 06:00:03 PST
