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 (
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

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