CCL: DL_POLY electric field



 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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