VMD-L Mailing List
From: aiswarya pawar (aiswarya.pawar_at_gmail.com)
Date: Thu Sep 15 2011 - 05:36:25 CDT
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Hi VMD users,
I want to calculate the water molecule within a cut off to the protein say
5Angstrom.
i tried doing the cmd-
set sel [atomselect top "water within 5 of protein"] ### but this is for
whole protein, i just need for hydrophobic part of protein, and want to know
which residues present and the distances of these from water. and i need to
output this to a file. is it possible to do a density map of the same.
Thanks,
Aiswarya
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