Re: solvate cap

From: Bill Ross <>
Date: Fri 19 Jan 2001 09:06:26 -0800 (PST)

        I have a system with solvent cap with which I wish to delete and replace
        but with a larger cap. How do I delete the current cap ? I have already
        tried the 'remove' command.
If you want to delete all the waters, make a pdb file and

% egrep -v WAT file.pdb > newfile.pdb

and in leap, loadpdb and add new cap.

Bill Ross
Received on Fri Jan 19 2001 - 09:06:26 PST
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