[gmx-users] How thick layer of water should one add around aprotein?
Mu Yuguang (Dr)
YGMu at ntu.edu.sg
Wed Nov 2 09:21:37 CET 2005
As a thumb of rule the closest distance between the peptide and the box
edge > 5 A.
Dr. Yuguang Mu
Division of Structural and Computational Biology
School of Biological Sciences
Nanyang Technological University
60 Nanyang Drive
From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of Mikko Hellgren
Sent: Wednesday, November 02, 2005 4:14 PM
To: gmx-users at gromacs.org; gmx-users at gromacs.org
Subject: [gmx-users] How thick layer of water should one add around
Hi, I have a general question about MD simulations in GROMACS and that
is how thick water layer that one should add around a peptide. Is there
some general rules to this. I imagine that this should depend on size
and the stability of the peptide in a water solution?
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