From owner-chemistry@ccl.net Sat Feb 18 09:04:00 2012 From: "Simon Halstead joyjoyhappyjoy[#]yahoo.co.uk" To: CCL Subject: CCL: question on external field in DL_POLY Message-Id: <-46332-120218090222-21790-6kPl6nhWi+sq5D7ucZPmUA|,|server.ccl.net> X-Original-From: Simon Halstead Content-Type: multipart/alternative; boundary="5169381-1001374126-1329573731=:37599" Date: Sat, 18 Feb 2012 14:02:11 +0000 (GMT) MIME-Version: 1.0 Sent to CCL by: Simon Halstead [joyjoyhappyjoy,+,yahoo.co.uk] --5169381-1001374126-1329573731=:37599 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable Looking at the manual, I think it should be:=0A=0Aextern=0Amagn =0A=0A1000 = 2000 3000=0A=0ASo, the numbers on the line after you specify the field type= .=0AIf this doesn't work, you may want to try the specialist DL_POLY forum:= =0A=0Ahttp://www.cse.clrc.ac.uk/disco/forums/ubbthreads.php?ubb=3Dpostlist&= Board=3D11&page=3D1=0A=0AThere are a lot of experts on there, including the= guys who write the code.=0A=0ARegards,=0A=0ASimon=0A=0A=0A=0A_____________= ___________________=0A From: Fatemeh Moosavi fatemeh.moosavi .. gmail.com <= owner-chemistry++ccl.net>=0ATo: "Halstead, Simon " =0ASent: Saturday, February 18, 2012 9:11 PM=0ASubject: CCL: qu= estion on external field in DL_POLY=0A =0A=0ASent to CCL by: "Fatemeh=A0 Mo= osavi" [fatemeh.moosavi/./gmail.com]=0ADear All=0AI have to run a job with = external magnetic field by using DL_POLY.=0AUnfortunately, I get the error = when I add the following in the FIELD.=0Aextern=0Amagn 1000 2000 3000=0AWou= ld you please advice me to solve my problem.=0A=0ABest regards=0AF. Moosavi= =0A=0A=0A=0A-=3D This is automatically added to each message by the mailing= script =3D-=0ATo recover the email address of the author of the message, p= lease change=0Athe strange characters on the top line to the ++ sign. You ca= n also=0A=0A=0AE-mail = to subscribers: CHEMISTRY++ccl.net or use:=0A=A0 =A0 =A0 http://www.ccl.net/= cgi-bin/ccl/send_ccl_message=0A=0AE-mail to administrators: CHEMISTRY-REQUE= ST++ccl.net or use=0A=A0 =A0 =A0 http://www.ccl.net/cgi-bin/ccl/send_ccl_mes= sage=0A=0A=0A=A0 =A0 =A0 http://www.ccl.net/chemistr= y/sub_unsub.shtml=0A=0ABefore posting, check wait time at: http://www.ccl.n= et=0A=0A=0AConferences: http://server.ccl.net/= chemistry/announcements/conferences/=0A=0ASearch Messages: http://www.ccl.n= et/chemistry/searchccl/index.shtml=0A=0AIf your mail bounces from CCL with = 5.7.1 error, check:=0A=A0 =A0 =A0=0A=0ARTFI= : http://www.ccl.net/chemistry/aboutccl/instructions/ --5169381-1001374126-1329573731=:37599 Content-Type: text/html; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable
Looking at= the manual, I think it should be:

=
extern
magn
1000 2000 3000

= So, the numbers on the line after you specify the field type.
If = this doesn't work, you may want to try the specialist DL_POLY forum:
<= div>
http://www.cse.clrc.ac.uk/disco/forums/ubbthreads.php?ub= b=3Dpostlist&Board=3D11&page=3D1

There are= a lot of experts on there, including the guys who write the code.

Regards,

Simon

=
From: Fatemeh= Moosavi fatemeh.moosavi .. gmail.com <owner-chemistry++ccl.net>
<= b>To: "Halstead, Simon -id#4n= 8-" <joyjoyhappyjoy++yahoo.co.uk>
Sent: Saturday, February 18, 2012 9:11 PM
Subject: CCL: question on external fi= eld in DL_POLY

=0A
Sent to CCL by: "Fatemeh = Moosavi" [fatemeh.moosavi/./gmail.com]
Dear All
I have to run a job = with external magnetic field by using DL_POLY.
Unfortunately, I get the = error when I add the following in the FIELD.
extern
magn 1000 2000 30= 00
Would you please advice me to solve my problem.

Best regardsF. Moosavi



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