AMBER Archive (2001)

Subject: Re: solvate cap

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Fri Jan 19 2001 - 11:06:26 CST

        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