AMBER Archive (2004)

Subject: AMBER: Sander & fix atoms

From: bybaker_at_itsa.ucsf.edu
Date: Thu Jun 03 2004 - 11:48:40 CDT

('binary' encoding is not supported, stored as-is) Hello, Amber:

I would like to run energy minimization in sander with some restrictions.
How can I set the minimization inputs with following restrictions:

--- fix heavy (all but hydrogens) atoms
--- fix backbone atoms
--- fix backbone atoms with tethered heavy atoms
--- tethered backbone atoms

Thank you very much!

Best regards

Bo Yang

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