Re: [AMBER] frozen geometry setting?

From: Michael Shokhen <michael.shokhen.biu.ac.il>
Date: Wed, 31 Aug 2016 13:34:36 +0000

Many thanks everybody for your comments.

The problem is resolved.




Michael
________________________________
From: Bill Ross <ross.cgl.ucsf.edu>
Sent: Tuesday, August 30, 2016 10:32:16 PM
To: AMBER Mailing List
Subject: Re: [AMBER] frozen geometry setting?

Provide restraint coords - see desc of refc in the manual. It's on the cmd line.

Bill

<div>-------- Original message --------</div><div>From: Michael Shokhen <michael.shokhen.biu.ac.il> </div><div>Date:08/30/2016 12:12 PM (GMT-08:00) </div><div>To: AMBER Mailing List <amber.ambermd.org> </div><div>Subject: Re: [AMBER] frozen geometry setting? </div><div>
</div>Dear Bill,


Your comment is too short and not clear for me.

Would you please give me more detailed direction

how to correct the script file in order to resolve the problem ?


Thank you,

Michael




*****************************
Michael Shokhen, PhD
Associate Professor
Department of Chemistry
Bar Ilan University,
Ramat Gan, 52900
Israel
email: shokhen.mail.biu.ac.il<https://webmail.biu.ac.il/owa/redir.aspx?C=a160ef9b9a6b4d06992402715d3ee465&URL=mailto%3ashokhen%40mail.biu.ac.il>
________________________________
From: Bill Ross <ross.cgl.ucsf.edu>
Sent: Tuesday, August 30, 2016 9:59:10 PM
To: AMBER Mailing List
Subject: Re: [AMBER] frozen geometry setting?

Note you need to specify your target coords:

Bill


On 8/30/16 11:55 AM, Michael Shokhen wrote:
> | REFC: refc


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Received on Wed Aug 31 2016 - 07:00:03 PDT
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