[gmx-users] .top file

[Justin Lemkul]

On 8/7/12 5:33 AM, Shima Arasteh wrote:
>
>
>   Dear gmx users,
>
> I need to check a line of angle section in .top file. It is written:
>      2     1     3     5
>
> What does the numbers show? the atom numbers of .pdb file? How can I check this line?
>

The first three are atom numbers within the corresponding [moleculetype].  The 
last number is the function type for the iteraction.

-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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