your system is far from equilibrated.

equilibrate it first.
extern shall not be extern 1 but that does not cause an error
in the manual pages 176&177 give you the recipe on how to compute the units.

there is no separate print for the energy of the external field. the codes calculates it but uses it to add with other energies in eng_cfg

Alin


Without Questions there are no Answers!
________________________________________
Dr. Alin Marin ELENA MInstP
Daresbury Laboratory, STFC
Sci-Tech, Keckwick Lane
Daresbury, Warrington, Cheshire
UK, WA4 4AD
https://www.scd.stfc.ac.uk/Pages/Alin-Elena.aspx
+44 (0) 1925 60 3080
________________________________________
________________________________________
From: DL_POLY Mailing List <[log in to unmask]> on behalf of Sheikh Ferdous <[log in to unmask]>
Sent: 16 June 2018 00:06:06
To: [log in to unmask]
Subject: Re: [DLPOLY] Potential like voltage application

Hi,


I used your instruction for external field but it is not working. Please see the attached FIELD file. I also attached CONFIG, CONTROL, and error file.


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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