error

From: Amit Paliwal (paliwal_at_jhu.edu)
Date: Mon May 24 2004 - 04:29:43 CDT

• Next message: Ekta Khurana: "Periodic cell too small"
• Previous message: Gadi Oron: "Re: Force Calculation in NAMD"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hi ,
I got the following error when using flexiblecell option in a protein
simulation. Can anyone explain what exactly happened?
-----------------------------------------------------------------------------------------------------

FATAL ERROR: Periodic cell has become too small for original patch grid!

Possible solutions are to start from a recent checkpoint,
increase margin, or disable useFlexiblecell for liquid simulation.
-----------------------------------------------------------------------------------------------------

I started with a cubic box of 68 angstrom a side and when simulation
crashed it was about 65 X 64 X 72. The decrease in the volume is due to
the high pressure employed in the simulation.

thanks,
Amit.

• Next message: Ekta Khurana: "Periodic cell too small"
• Previous message: Gadi Oron: "Re: Force Calculation in NAMD"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:38:41 CST