[gmx-users] How to convert charmm str to itp file?

[Justin Lemkul]

On 1/25/18 10:53 PM, 金 瑞涛 wrote:
> Greetings Miji
>
> That means you need to install netwokx.
> Try pip install networkx. if you still get other problem, it might caused by the lasted networkx, try the old version if other problem occurs, unless you are still missing other module.

Just as a bit of clarification - networkx version 2.x is incompatible 
with our script, but anything in the 1.x series works fine.

-Justin

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Justin A. Lemkul, Ph.D.
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Virginia Tech Department of Biochemistry

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