3 Sep
2010
3 Sep
'10
5:01 p.m.
On Fri, Sep 3, 2010 at 1:46 AM, Randy J. Read
By popular demand we (by which I mean Airlie McCoy) have put in a new option to bypass the molecular weight deviation check. So in a script-driven Phaser run you could add a command like ENSEMBLE ensemble1 DISABLE CHECK ON. However, there isn't yet an option to disable this in the GUI.
It will be available in the Phaser-MR GUI starting in nightly build dev-521 or newer. -Nat