CCL: DL_POLY electric field
- From: John W Daily <john.daily[A]colorado.edu>
- Subject: CCL: DL_POLY electric field
- Date: Tue, 13 May 2008 18:22:52 -0600
Sent to CCL by: John W Daily [john.daily++colorado.edu]
Nicola,
You must have three lines. The following imposes an electric field of
5.0 (kcal units) in the x-dir.
extern
elec
5.0 0.0 0.0
And be sure to get the units right. They depend on the units you are
using in the FIELD file.
John
On May 13, 2008, at 10:03 AM, Nicola Salvi nicolasalvi _ email.it wrote:
Sent to CCL by: "Nicola Salvi" [nicolasalvi{=}email.it]
I have a problem with DL_POLY. I have to understand how to set up
an external electric field in my simulation, parallel to z-axis. I
know that I have to use elec command in FIELD file, but that's all
I was able to find out, it still continues to output me error 52
and I didn't find much on web!
Thanks all for your help!
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