[AMBER] What is the default value of tishake

From: Suitian Lai <laisuitianwork.163.com>
Date: Mon, 18 Oct 2021 22:48:19 +0800 (CST)

Hi,


I notice that in the Amber20 manual, the default value of tishake is 0. This means no constraints are removed. However, when I performed TI using pmemd.cuda in amber20 without writting "tishake" in the mdin file, the program removed some constraints. I wonder whether the default value of tishake is in fact 1.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Oct 18 2021 - 08:00:02 PDT
Custom Search