[gmx-users] How to convert charmm str to itp file?
jalemkul at vt.edu
Fri Jan 26 16:26:40 CET 2018
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 A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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