[gmx-users] Re: How to generate a .itp file for molecules

[Justin Lemkul]

On 9/18/12 1:56 PM, Ali Alizadeh wrote:
> Dear Justin
>
> Your link did not help me for generate the methane.itp file but generated
> my propane.itp file.
>

I would suggest you contact the developers of SwissParam to understand why it 
did not work.  Likely there are some limitations on what types of molecules are 
acceptable based on their algorithm.

-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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