Dear all,
I want to simulate bilirubin (
http://upload.wikimedia.org/wikipedia/commons/6/6a/Bilirubin.svg ) which
contains double bonds.
Shall I take care in this case about the double bons during Atechamber
parametrisation (creation of prepin, frcmod files )
or later in tleap/sleap after loading the structure or it is enough to
provide just reasonable structures
in PDB format and Antechamber or later tleap/sleap will do automatically
proper atom types assignment/double bonds recognition ?
Thanks a lot in advance for any comments !
Best wishes
Marek
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Received on Tue Aug 17 2010 - 10:30:28 PDT
