[gmx-users] insulin

Justin A. Lemkul jalemkul at vt.edu
Fri Jun 27 18:58:06 CEST 2008

Out of curiosity, what version of Gromacs are you using?  Did you 
compile it from source?  If so, which compiler versions (most 
importantly, gcc)?

I had a problem with a broken Ubuntu package (GMX 3.3.1) that gave 
similar strange behavior.  It's a long-shot, but a broken installation 
can result in weird behavior.

If you'd like, I'd be willing to take a look into it myself, if you'd 
like to send me your .pdb file off-list.  It might be faster for 
diagnosing the problem.


rams rams wrote:
> Hi
> I am very new to Gromacs and I am really really running into problems 
> while
>    setting up the input file for insulin simulations. Are there any 
> one who had
>    bit experience in handling insulin (both the chains) ?
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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