Hello,
I'm having problems with LEaP. It has problems loading some perfectly fine pdb files, because, I suspect, they have more than 100000 atoms. In particular, I think it is misinterpreting the CONECT data of the disulphide bridges, trying to link cysteines to water molecules and crashing out after having an ATOMS NOT BONDED fatal error.
Is there a known fix for this? My workflow is largely automated and it is frustrating to see a script fail early on because of this, even if there are no other errors.
Cheers
Pietro
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Received on Mon Dec 01 2014 - 03:30:02 PST
