AMBER Archive (2005)

Subject: Re: AMBER: An atom name with 4 characters is not compatible with Leap ?

From: Tim Meyer (tim_at_mmb.pcb.ub.es)
Date: Fri Jul 22 2005 - 10:06:52 CDT

> Is it a bug or limitation ? What should I do ? Did somebody modify the
> antechamber's code or leap's code for this problem ?

the problem comes from the pdb format. columns 13,14,15,16 contain atom
name, however 14 is supposed to contain the element character so CL29
doesn't fit.
try use .lib instead of .prep files. i have e.g.
"AC5*" "c3" 0 1 131072 44 -1 0.213720
which is read without problem.

Tim

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