Re: MD without SHAKE

Contemporary messages sorted: [ by date ] [ by thread ] [ by subject ] [ by author ] [ by messages with attachments ]

From: Bill Ross <ross_at_cgl.ucsf.edu>
Date: Mon 26 Feb 2001 17:51:25 -0800 (PST)

        My question is, can I run MD for solvated DNA with SHAKE
        turned off? What settings should I use to make sure the
        simulation runs smoothly?

Timestep = 1 fs instead of 2 is the common practise, I believe.

Bill Ross
Received on Mon Feb 26 2001 - 17:51:25 PST

This message: [ Message body ]
Next message: Kristin Maher: "porphyrin parameters"
Previous message: Dayle Smith: "MD without SHAKE"
Next in thread: jim caldwell: "Re: MD without SHAKE"
Reply: jim caldwell: "Re: MD without SHAKE"
Maybe reply: Bill Ross : "Re: MD without SHAKE"
Maybe reply: Bill Ross : "Re: MD without SHAKE"

Contemporary messages sorted: [ by date ] [ by thread ] [ by subject ] [ by author ] [ by messages with attachments ]

Custom Search