AMBER Archive (2009)

Subject: Re: [AMBER] error in tleap of AMBER 10

• Previous message: David Watson: "Re: [AMBER] ptraj clustering with sieve- unexpected Bus Error"
• In reply to: kureeckal ramesh: "[AMBER] error in tleap of AMBER 10"
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On Fri, Jun 26, 2009, kureeckal ramesh wrote:
>
> > Loading Mol2 file: ./TAZ.mol2
> > Reading MOLECULE named TAZ
> > ../tleap: line 9: 8766 Segmentation fault    Â

The problem seems to be that the residue number in the mol2 file (and
presumably, in the pdb file that was used to create it) is "0". Of course,
LEaP should detect this, and either fix it or exit with an error message.
[sleap exits with an assertion failure that would be helpful to developers but
not users.]

The workaround is to change the residue number to a non-zero (positive) value.

...dac

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• Previous message: David Watson: "Re: [AMBER] ptraj clustering with sieve- unexpected Bus Error"
• In reply to: kureeckal ramesh: "[AMBER] error in tleap of AMBER 10"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]