AMBER Archive (2008)

Subject: AMBER: amber9 / difference of igb=0 and igb=6

From: Arturas Ziemys (arturas.ziemys_at_uth.tmc.edu)
Date: Wed Jul 09 2008 - 14:45:32 CDT

Hi,

I am not sure I understand properly the difference of option of igb=0
and igb=6 in AMBER 9: igb=0 - means no implicit solvation (no GB), igb=6
- pure vacuum. I understand as both gives vacuum in non periodic
systems. So what is the difference? Could anyone give a short comment? 

-- 

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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