AMBER Archive (2009)

Subject: Re: [AMBER] MM-GBSA nmode error for explicit solvent system only but not for implicit solvent system. Why?

From: Ashish Runthala (ashish.runthala_at_gmail.com)
Date: Mon Aug 17 2009 - 01:21:45 CDT

See i feel as the Ross said, you may run in parts.
See, removing water molecules are also significant. How can you remove
them from MM-GBSA analysis.

Either you install amber on a server at your university. Or
Use implicit solvent. 

-- 
Ashish Runthala,
Faculty Division III,
Assistant Lecturer, Biological Sciences,
Birla Institute of Technology and Science,
Pilani, Rajasthan- 333031
INDIA

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber