[AMBER] Thermodynamic integration with sander + using nosoftcore

From: Khabiri, Morteza <khabiri.med.umich.edu>
Date: Mon, 30 Apr 2018 17:58:32 +0000

Hi


Is it still possible to do thermodynamic integration in Amber using no-softcore potential by sander?

As I have seen some tleap options like pertName are no longer exist in amber.

Is there any tutorial for TI calculations with no-softcore?

Thanks,

Morteza
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Received on Mon Apr 30 2018 - 11:00:04 PDT
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