(unknown charset) [AMBER] grid command in cpptraj

From: (unknown charset) 沖本 憲明 <okimoto.gsc.riken.jp>
Date: Wed, 16 Aug 2017 23:23:10 +0900

Dear Amber users

I am using grid command in cpptraj. And, I have a simple question.
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grid wat.xplor 100 0.5 100 0.5 100 0.5 :WAT
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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?


Thank you,
Noriaki Okimoto
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Received on Wed Aug 16 2017 - 07:30:04 PDT
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