AMBER Archive (2009)

Subject: [AMBER] RMSDf of heavy atoms

From: Syed Tarique Moin (
Date: Tue Sep 22 2009 - 06:45:26 CDT

Dear amber users,

I am interested to caculate rms of heavy atoms only (no hydrogen) in protein with respect to initial stucture using ptraj. What should the mask for the heavy atoms.

Thanks and regards

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