Re: question from a tutorial

From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Thu Jan 20 2011 - 14:29:23 CST

While someone may know the answer to your specific question, this problem is exactly why I modified the tutorial to make that section optional. Spartan has a tendency to significantly change its layout with each iteration, making supporting its use impossible.

On top of that, it's not really the best way to generate parameters. It's better to use a full QM program like Gaussian, following the CHARMM protocol as outlined in MacKerrell's papers.

On Jan 20, 2011, at 2:17 PM, Lisa Brown wrote:

> Hi all,
> I am trying to do a tutorial (parameterizing a novel residue ) using
> Spartan 08, and could not find the "Define profile" option under
> "Build menu, so I can not do later steps which includes a button
> called "Dihedral drive" which is used to give valus to find dihedral
> angles.
> Does this tutorial work only with Spartan 02? Anyone has better way to
> solve this problem.
> I really appreciate any comments.
>
> Thank you in advance
> Lisa

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