Not since Feb of this year..... which is the bug in particular that is causing the problem?
On Dec 3, 2010, at 4:17 PM, Jason Swails wrote:
> Have you applied all of the bug fixes?
>
> On Fri, Dec 3, 2010 at 4:12 PM, Geoffrey Wood <gwood.mit.edu> wrote:
>
>> Dear Amber users,
>>
>> I wanted to do something fairly simple, that is set up a box of amoeba
>> waters using sleap.
>>
>> 1. If I run the tests in the ~/amber11/test/sleap/amoeba directory
>> (Run.amoeba Run.amoeba_sol) then they pass.
>>
>> 2. If I try and solvate one water molecule loaded from a pdb file (see
>> below) then I get a "segmentation fault" when I try to save the param file
>>
>> i.e.:
>>
>> sleap
>> set default echo on
>> source leaprc.amoeba
>> loadoff amoeba_wat.off
>> A = loadpdb wat.pdb
>> solvateoct A WATBOX 4.0
>> savepdb A amoebaWat.pdb
>> saveamoebaparm A amoebaWat.prmtop amoebaWat.xyz
>>
>> --> Segmentation fault
>>
>>
>> my Pdb file just looks like:
>>
>> REMARK
>> ATOM 1 O WAT 1 0.782 0.902 1.871
>> ATOM 2 H1 WAT 1 0.782 0.902 2.828
>> ATOM 3 H2 WAT 1 1.564 1.353 1.552
>> TER
>>
>>
>>
>> Any ideas about what is happening?
>>
>> Thanks in advance.
>>
>>
>>
>>
>>
>>
>>
>>
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>>
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-4032
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Received on Fri Dec 03 2010 - 14:00:06 PST
