[gmx-users] Fraction of native contacts.

[WT Ren]

Hi, Prakash：

you can try mdtraj.

http://mdtraj.org/1.8.0/examples/native-contact.html

Weitong* Ren, PhD student*
Laboratory of Biophysics
Department of Physics
*Nanjing University*
Nanjing, Jiangsu, PR China
210093
tel : +86 025 8359 7226
*wtren at biophy.nju.edu.cn <wtren at biophy.nju.edu.cn>*

On Fri, Apr 28, 2017 at 6:19 PM, B Prakash <4gromacs at gmail.com> wrote:

> Dear all,
> I need to calculate fraction of native contacts as a measure of protein
> denaturation. Please suggest ways to do so in Gromacs. I tried to use
> mdmat. Is there a better tool?
>
> Regards,
> Prakash.
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