(unknown charset) [AMBER] grid command in cpptraj
Dear Amber users
I am using grid command in cpptraj. And, I have a simple question.
grid wat.xplor 100 0.5 100 0.5 100 0.5 :WAT
In this case,
does grid command count up when any atoms (hydrogen and oxygen atoms) of water molecules exist in each voxel?
or, does it count up when center of water molecules exist in each voxel?
AMBER mailing list
Received on Wed Aug 16 2017 - 07:30:04 PDT