From: SARBAJIT LAYEK (layeksarbajit_at_gmail.com)
Date: Wed Apr 13 2022 - 10:31:02 CDT
Dear NAMD experts,
I have a system with a carbon nanomaterial, an unfolded protein, and water
(TIP3P). I have the .psf file, but unfortunately, the topology created long
ago is lost.
I would like to change the water model to TIP4P/2005. Can you suggest how
to do this for every water molecule in the previous system (in the absence
of the topology file)?
Thanks in advance.
Sarbajit Layek
(junior research fellow)
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