From owner-chemistry@ccl.net Mon Dec 27 16:21:00 2010
From: "Jamin Krinsky krinsky.jamin=gmail.com" <owner-chemistry,,server.ccl.net>
To: CCL
Subject: CCL: Creat a .chk file
Message-Id: <-43461-101227161508-8731-QxTy9zUxWtebc9MxKc3/wA,,server.ccl.net>
X-Original-From: Jamin Krinsky <krinsky.jamin]|[gmail.com>
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Date: Mon, 27 Dec 2010 13:14:57 -0800
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Sent to CCL by: Jamin Krinsky [krinsky.jamin,gmail.com]
Hi Ehsan,

To be a little more specific, you would make a copy of your first
checkpoint file so you don't overwrite it. If you were to call this
new file "newchkfile.chk" then you would put the %chk=newchkfile.chk
line in your input, as was previously posted by someone else. The
calculation will read info from that file and overwrite it with the
new calculation, but you'll still have the original in case you need
it again.

Regards,
Jamin


On Mon, Dec 27, 2010 at 1:18 AM, ehsan shakerzadeh
ehsan_shakerzadeh*yahoo.com <owner-chemistry|,|ccl.net> wrote:
>
> Sent to CCL by: "ehsan  shakerzadeh" [ehsan_shakerzadeh~~yahoo.com]
> Dear All,
>
> Merry Christmas
>
> i want to optimize a structure with read from chek point file and again creating a new check point file for this. How can I do it? Now I can only use the option guess=read.
> Ehsan>      http://www.ccl.net/cgi-bin/ccl/send_ccl_message>      http://www.ccl.net/cgi-bin/ccl/send_ccl_message>      http://www.ccl.net/chemistry/sub_unsub.shtml>      http://www.ccl.net/spammers.txt>
>
>