AMBER Archive (2005)

Subject: AMBER: Cutoff for anal

From: Harianto (harianto_at_mailer.sb.fsu.edu)
Date: Thu Jan 20 2005 - 11:50:14 CST

Hi Amberian & Dr. Case,
I was doing anal calculation, but the calculation was aborted and
message like this appeared:
  Number of NB Res pairs =12642874 exceeds max = 561757
That because I put a big numbers for cutoff radius as I wanted the
no-cutoff calculation.

Anybody knows how to run no-cutoff for anal? How to change the max # of
NB pairs ?
Thanks in advance,
Harianto Tjong.

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