From: Ashar Malik (asharjm_at_gmail.com)
Date: Thu Jul 02 2015 - 11:13:29 CDT

like the error says:

"Possible solutions are to restart from a recent checkpoint,
increase margin, or disable useFlexibleCell for liquid simulation"

include the line

margin 2.5

in your conf file, without doing anything else and see how it goes.

On Fri, Jul 3, 2015 at 3:48 AM, Jinasena Hewage <jwhewage_at_gmail.com> wrote:

> I have been running protein in carbon nanotube inserted in hexagonal
> water cylinder. I am getting this error.
>
> Reason: 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.
>
> Charm++ fatal 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 tried following,
> 1) Instead of using Periodic boundary condition in .conf file, I used
> .xrc, but still getting same error.
> 2) I used the boundary lengths given in .txt file generated when I created
> the water cylinder even thought I increased the size of the cylinders,
> same problem is there.
> This run without any problem in NVT ensemble used in equilibration but
> production run with constant pressure doesn't work.
> I need your help please.
> Thank you
> Hewage
>
> Dr. Jinasena Hewage
> Senior Lecturer in Physical Chemistry
> (Current Position: Visiting Academic, Research School of Chemistry,
> Australian National University)
> Department of Chemistry
> University of Ruhuna
> Matara, Sri Lanka
> (+94) 071 4500 389
>

-- 
Best,
/A