[AMBER] Rdf calculation:

From: Kankana Bhattacharjee via AMBER <amber.ambermd.org>
Date: Mon, 6 Nov 2023 11:48:23 +0530

Dear AMBER users,

I would like to compute rdf of water molecules with respect to key amino
residues. For that how can I define the solute and solvent mask ?
I have few amino acid residues as reference point should I have to mention
the residue ID of every amino acids in solute mask ?
For solvent mask if I give ":WAT" will that work ?
Your suggestion would be highly appreciated.

Thanks & Regards
Kankana Bhattacharjee
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Received on Sun Nov 05 2023 - 22:30:02 PST
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