[AMBER] About turning off energy terms between selected atoms

From: Mo Chen <mc842.cornell.edu>
Date: Tue, 19 Nov 2013 18:27:26 -0500

Dear AMBER developers and users,

I would like to run an MD simulation, during which the nonbond interaction
energy between certain atoms are turned off. I would assume perhaps the
specified atoms can be masked some way, but I have not been able to find
much detailed information about this. May I ask how this can be achieved?
Is there a similar function as the BLOCK function in CHARMM?

Thank you very much!

Mo Chen
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Received on Tue Nov 19 2013 - 15:30:02 PST
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