[gmx-users] 2 Questions

simon sham ssham44 at yahoo.com
Fri Mar 11 00:01:57 CET 2011

I) I have been trying to figure out where is the source of the following warning message coming from:

WARNING: masses and atomic (Van der Waals) radii will be determined
         based on residue and atom names. These numbers can deviate
         from the correct mass and radius of the atom type.

2). I used ngmx to inspect the trajectory of a 20ns MD run, and I noticed that the protein is moving around quite a bit in different directions. Is it normal?

Thanks for your insight.


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