AMBER Archive (2009)

Subject: [AMBER] TI in Amber9/10

From: Alessandro S. Nascimento (
Date: Tue Sep 08 2009 - 10:47:26 CDT

Hi Amber developers,

I am teaching molecular modeling classes and planing a lesson with a
tutorial about TI, among other free energy methods. I saw that Amber10
handles TI better than Amber9 (no need to dummy atoms, etc), but
currently, we only Amber9 license here.

My question is: is there any plan to update (bugfix maybe?) TI in
amber9 to allow such options?

PS: I know, I should try to raise some money and buy Amber10! Working on it!!!!

Thanks a lot in advance,

Alessandro S. Nascimento
Universidade de Sao Paulo
Sao Carlos Physics Institute

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