2 molecule pair interactions

From: Arturas Ziemys (arturas.ziemys_at_uth.tmc.edu)
Date: Wed Apr 16 2008 - 16:26:27 CDT


I calculated pair interactions between2 protein in solution, where the
distance varies up to 70 A between proteins. In my simulation I used PME
and cutoff 10. I assume at long distances protein A should not feel
protein B, because of cutoffs. Why I have non-vanishing interaction
energies in long distances ?

Arturas Ziemys, PhD
  School of Health Information Sciences
  University of Texas Health Science Center at Houston
  7000 Fannin, Suit 880
  Houston, TX 77030
  Phone: (713) 500-3975
  Fax:   (713) 500-3929  

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