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Hi,

I tried to use extern command to induce external electric field. I have attached files of an equilibrated system. Please give a suggestion.

Thanks,

Sheikh Fahad Ferdous

Full-Time Lecturer

University of Massachusetts Dartmouth

Office - SENG 116D

Office Phone: 508-910-6553

From: DL_POLY Mailing List <[log in to unmask]> on behalf of Alin Marin Elena <[log in to unmask]>
Sent: Wednesday, June 13, 2018 4:34:03 PM
To: [log in to unmask]
Subject: Re: Potential like voltage application

hi Sheikh,

in the field file before the close keyword add the following

extern
electric 10.0 0.0 0.0

check the manual page 176 for details.

Regards,
Alin
Without Questions there are no Answers!
______________________________________________________________________
Dr. Alin Marin ELENA
http://alin.elena.space/
______________________________________________________________________

On 13 June 2018 at 21:07, Sheikh Ferdous <[log in to unmask]> wrote:
> Thank for your reply. I am not understanding the command. Is it "elec"
> command in FIELD file? DLPOLY doesn't have any example like that. Can I do
> that for certaion group of atom? Any exmaple files will be very helpful.
>
>
> Thanks,
>
> Sheikh Fahad Ferdous
> Full-Time Lecturer
> University of Massachusetts Dartmouth
> Office - SENG 116D
> Office Phone: 508-910-6553
>
> ________________________________
> From: DL_POLY Mailing List <[log in to unmask]> on behalf of P.-L. Chau
> <[log in to unmask]>
> Sent: Wednesday, June 13, 2018 3:58:23 PM
> To: [log in to unmask]
> Subject: Re: Potential like voltage application
>
>> I like to know that did anybody applied voltage potential in dlpoly. If
>> yes, please provide some information.
>
> Yes, I did, many years ago, to a biological membrane. The electric field I
> applied was 10 GV/m, which is about the same magnitude in a real system.
> The whole membrane got very disrupted, and to this day I still do not
> understand why in real-life systems, biological membranes are not messed
> up by the very large electric field.
>
> I am sorry this is not very helpful.
>
> P-L Chau
>
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