[CP2K-user] How to make coordinate file

sumit agrawal sumitag... at gmail.com
Fri Oct 16 21:27:48 UTC 2020


I have recently installed cp2k in windows. I just did some exercise which
is available on cp2k website. Now I want to do some bulk phase vibrational
analysis. I want to make a coordinate file in which 100 water molecules and
one methanol molecule is present. This methanol molecule is present in
between water molecules. So how to make a coordinate file for this system.

Can I use gauss view to make the coordinate file?
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