Re: [AMBER-Developers] Problems with sleap and iwrap

From: Thomas Cheatham III <tec3.utah.edu>
Date: Fri, 8 Apr 2011 15:02:19 -0600 (Mountain Daylight Time)

> BOND = 30.2890 ANGLE = 177.5548 DIHED = 443.3116
...
> BOND = 30.2890 ANGLE = 88.7774 DIHED = 443.3116

sleap/tleap angle differences - sleap is assigning/calculating the angles
twice... Got it, pre-bug fixed version. AT15 is OK --tom


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Received on Fri Apr 08 2011 - 14:30:02 PDT