AMBER: Sander & fix atoms

From: <bybaker.itsa.ucsf.edu>
Date: Thu, 03 Jun 2004 9:48:40 PDT
('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


-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Thu Jun 03 2004 - 17:53:01 PDT
Custom Search