Hey friends,
I have gotten some warnings when using tleap. Here it goes:
1-4: angle 2656 2657 duplicates bond ('triangular' bond) or angle ('square' bond)
1-4: angle 2655 2657 duplicates bond ('triangular' bond) or angle ('square' bond)
1-4: angle 2655 2656 duplicates bond ('triangular' bond) or angle ('square' bond)
I checked the prmtop file and found that the water molecules I added all looked like triangles. (meaning the two Hs also bonded to each other)
Then I tried to follow the Amber Tutorial on using antechamber to do a trial to see where I went wrong. Surprisingly, I realized that this error is also shown on the tutorial web-page!
1-4: angle 7 12 duplicates bond ('triangular' bond) or angle ('square' bond)
1-4: angle 7 9 duplicates bond ('triangular' bond) or angle ('square' bond)
1-4: angle 9 12 duplicates bond ('triangular' bond) or angle ('square' bond)
Could anyone help me in dealing with this problem? Or if this error can just be ignored?
Many thanks!
Jiawei
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Received on Wed Dec 16 2015 - 00:00:03 PST
