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
smartphone.
Original message
From: Мижээ Батсайхан <b.mijidd...@gmail.com>
Date: 26/1/18 2:44 pm (GMT+10:00)
To: gromacs.org_gmx-users@maillist.sys.kth.se
Subject: [gmx-users] How to convert charmm str to itp file?
Dear Experts,
I generated LIG.str file using CGenFF for a sp
Dear Experts,
I generated LIG.str file using CGenFF for a specific molecule. I would like
to use GROMACS package. I tried to convert LIG.str file to LIG.itp file. I
tried as following command using cgenff_charmm2gmx.py:
./cgenff_charmm2gmx.py LIG LIG.mol2 LIG.str charmm36
I got following error:
