[gmx-users] position restraints

[Justin Lemkul]

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


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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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