Re: How to circumvent: FATAL ERROR: Periodic cell has become too small for original patch grid!

From: L. Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Mon Apr 07 2008 - 15:10:43 CDT

How about increasing the margin? How big is your system?

Cheers,
Michel

On Mon, Apr 7, 2008 at 2:36 PM, Maxim Paliy <mpaliy_at_wlu.ca> wrote:
> Dear NAMD experts.
> in my constant pressure simulations I run into problem of box shrinking
> unexpectedly fast and producing the following error:
> ________________
> FATAL ERROR: Periodic cell has become too small for original patch grid!
> Possible solutions are to restart from a recent checkpoint,
> increase margin, or disable useFlexibleCell for liquid simulation.
> _______________
> I have FlexibleCell disabled, and use PMEGridSpacing to tell the number
> of PME cells..
> Is there any way to circumvent the problem without restarting the
> simulation several times?
> and what other parameters might affect this behavior?
> (in particular, what precisely does the margin parameter do?)
>
> Thanks a lot in advance,
> Maxim Paliy
>
>
>

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