AMBER Archive (2007)

Subject: AMBER: About the problem of the PMEMD and cutoff

From: 方磊 (fralium_at_gmail.com)
Date: Sun Jan 14 2007 - 21:56:17 CST

Dear all,
   I heard from somebody that if the process of md will usi pme，the radius
of the water box should be two times larger than the value of cutoff.

  So what does it mean? can anyone tell me?

  Thank you!

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