energy due to electric field

From: jcm203_at_soton.ac.uk
Date: Wed Mar 08 2006 - 11:45:52 CST

• Next message: Sterling Paramore: "Re: Pressure -ve"
• Previous message: Jérôme Hénin: "Re: Pressure -ve"
• In reply to: Tamal Banerjee: "Pressure -ve"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

I'm currently using the namd electric field in a 5ns MD simulation and am
finding that the energy due to the electric field (printed in the misc
column) is dropping from the start beginning of each batch submission to
the end of the batch. Hence every time my job is resubmitted the electric
field seems to be being reapplied and the same thing then happens again.

I was just wondering if anyone had any experience with the electric field
and could tell me a little bit more about the energy value printed in the
misc column and whether the results i'm experiencing are normal or not?

Thanks in advance,

Jenny McKelvie
Southampton University Chemistry Department

• Next message: Sterling Paramore: "Re: Pressure -ve"
• Previous message: Jérôme Hénin: "Re: Pressure -ve"
• In reply to: Tamal Banerjee: "Pressure -ve"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:41:42 CST