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

Justin Lemkul 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.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


More information about the gromacs.org_gmx-users mailing list