[gmx-users] position restraints

[Shima Arasteh]

Yes, you are right. Because I have read the include mechanism in website many times, but I dont undrestand it in deep! :-( 
I may need to study more.
Thanks


 
Sincerely,
Shima


----- Original Message -----
From: Justin Lemkul <jalemkul at vt.edu>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Cc: 
Sent: Monday, March 25, 2013 11:20 PM
Subject: Re: [gmx-users] position restraints



On 3/25/13 2:47 PM, Shima Arasteh wrote:
> Would you please let me know that what subject I need to look for through manual or threads? Making index groups of multiple atoms?
> 

What you need to understand is how the position restraint mechanism works.  If you know that, you can make .itp files by hand using a text editor if you like (which is actually what I do in the case of one-liners like lipid_posre.itp for what you're doing).

-Justin


-- ========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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