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.
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Received on Mon Oct 18 2021 - 08:00:02 PDT
