[gmx-users] choice of ΔQm Optimized Energy

Yogesh Sharma yogesh.rma13 at gmail.com
Sat Jan 25 06:59:24 CET 2020


Greetings everyone,
I was looking at the parameter files of a ligand. I found four files of
ligand  under the same name but differences were there in ΔQm Optimized
Energy
-1556371.3071 kJ.mol-1
-0.525
0.429
-0.250
which one should I use for my ligand interaction studies?
looking forward for your suggestions.


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