AMBER Archive (2004)

Subject: AMBER: xleap console message

From: Guanglei Cui (cuigl_at_csb.sunysb.edu)
Date: Mon Apr 19 2004 - 10:06:05 CDT

Dear all,

While I was building a molecule with all home-cooked parameters, I saw
the following messages from Xleap console

+Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
+---Tried to superimpose torsions for: *-N2-Zn1-*
+--- With Sp2 - Sp0
+--- Sp0 probably means a new atom type is involved
+--- which needs to be added via addAtomTypes
+Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
+---Tried to superimpose torsions for: *-S1-Zn1-*
+--- With Sp3 - Sp0
+--- Sp0 probably means a new atom type is involved
+--- which needs to be added via addAtomTypes
+Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
+---Tried to superimpose torsions for: *-O2-Zn1-*
+--- With Sp2 - Sp0
+--- Sp0 probably means a new atom type is involved
+--- which needs to be added via addAtomTypes

Is this something I should worry about? The unit is checked OK.

Thanks in advance.

Guanglei
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