[gmx-users] Re: mdrun_hole

[Graham Smith]

> Hi, 
> Has anyone used mdrun_hole to insert protein into a bilayer?
> Would it be possible to get the source/executable for this program?
> thanks
> Indira 

Hi Indira

Yes, it's on the contributions page. This is code that works with
3.1.4 (make a copy of your 3.1.4 distribution then extract my tar file
into that, then config and make mdrun). However, I discussed this
briefly with Erik Lindahl (see gmx-developers/2003-October/) and we
thought that 3.2's better minimizer might enable it to do the
insertion directly. If you try both I'd be interested to know what
happens. 

Graham 

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Dr. Graham R. Smith,
Biomolecular Modelling Laboratory,
Cancer Research UK,