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AMBER Archive (2000)Subject: bond order
From: Eoin Galligan (paxeg_at_unix.ccc.nottingham.ac.uk)
Dear All,
I am trying to change bonds to double bonds within xleap. My molecule is
bond mtx.O mtx.C [=]
The error message i get is
bond:argument 1 is type string must be of type:[atom]
I had previously set the hybridisation of the O and C to sp2.
Obviously, I am not defining the variable of the atom correctly. How is
Any advice gratefully received.
With Regards, Eoin Galligan
tel: 0115 9515151 ext 66272
Laboratory of Biophysics and Surface Analysis,
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