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Molekel - Message forums

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Geometry analysis
Submitted by Tomas Ísterman; posted on Sunday, November 23, 2008
I always need to click on one extra atom to get the distance, angle or dihedral angle when analysing my calculated geometries (i.e. 3, 4 and 5 atoms respectively). If I do not do this, I am not able to click on the command of interest in the analysis menu. Is this the correct behaviour of Molekel 5.3.0.6? If yes, how do I know which bond or angle that is actually being measured? If no, what can I do to fix the problem? I have Windos XP and I am using Gaussian03 to perform the calculations.



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Geometry analysis
Submitted by Tomas Ísterman; posted on Sunday, November 23, 2008
I always need to click on one extra atom to get the distance, angle or dihedral angle when analysing my calculated geometries (i.e. 3, 4 and 5 atoms respectively). If I do not do this, I am not able to click on the command of interest in the analysis menu. Is this the correct behaviour of Molekel 5.3.0.6? If yes, how do I know which bond or angle that is actually being measured? If no, what can I do to fix the problem? I have Windos XP and I am using Gaussian03 to perform the calculations.

 

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