Fw: [gmx-users] Energy minimization

Shima Arasteh shima_arasteh2001 at yahoo.com
Sun Dec 16 14:33:58 CET 2012


----- Forwarded Message -----
From: Shima Arasteh <shima_arasteh2001 at yahoo.com>
To: Dariush Mohammadyani <d.mohammadyani at gmail.com> 
Sent: Sunday, December 16, 2012 5:03 PM
Subject: Re: [gmx-users] Energy minimization

It's printed in terminal, exactly before showing the values of infinite potential and Max Force and .... .


 From: Dariush Mohammadyani <d.mohammadyani at gmail.com>
To: Shima Arasteh <shima_arasteh2001 at yahoo.com> 
Sent: Sunday, December 16, 2012 5:01 PM
Subject: Re: [gmx-users] Energy minimization

Hi Shima,
Just for my knowledge, how did you find the clashed atom?

On Sun, Dec 16, 2012 at 12:19 AM, Shima Arasteh <shima_arasteh2001 at yahoo.com> wrote:

are protein ( atom 288)  and lipid chain. I think if I move them, I may get some other clashes, may I not?
>Any other suggestion?


Dariush Mohammadyani
Ph.D Student
Department of Bioengineering
University of Pittsburgh
Pittsburgh, USA

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