Re: Periodic cell has become too small for original patch grid

From: Charles Danko (dankoc_at_gmail.com)
Date: Wed Apr 13 2005 - 09:32:03 CDT

Hi,

At the beginning of the input file try inserting the line:
margin 2.5;
If that dosent work, try increasing it further; but I have never seen
this problem repeated beyond that.

To be honest, I dont entirely understand what this does. Perhaps
someone else can explain that??

Charles

On 4/13/05, Xiaoqing Wang <namdwxq_at_126.com> wrote:
> Hi all,
> After 200000steps restrained MD simulation successfully, I performed
> MD simulation but the error message appears :
> 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.
>
> The system is protein+membrane+water.
> The attechment file md.in is my input file.
>
> Could anyone give me help!
> Thanks in advance
> --
> --Xiaoqing
> Wuhan University
> Wuhan 430072
> China
>
>
>

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