Re: [AMBER] Error with using dpeaks clustering in CPPTRAJ

From: Yinglong Miao <yinglong.miao.gmail.com>
Date: Mon, 13 Jan 2020 19:10:04 -0600

Hi Dan,

It’s the latest version as in AMBER git repository.

Thanks,
Yinglong


> On Jan 13, 2020, at 6:20 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>
> What version of cpptraj are you using?
>
> -Dan
>
> On Mon, Jan 13, 2020 at 6:51 PM <yinglong.miao.gmail.com> wrote:
>>
>> Hello,
>>
>> I tried to use the dpeaks algorithm for clustering with the following
>> command:
>> cluster C0 dpeaks epsilon 4 dvdfile dvdfile choosepoints auto runavg
>> runavg.dat deltafile delta.dat sieve 200
>>
>> But keep getting the following output with error:
>> ...
>> Finding closest neighbor point with higher density for each point.
>> 0% 10% 20% 30% 40% 50% 60% 70% 80% 90%
>> Internal Error: In Cluster_DPeaks::AssignClusterNum nearest neighbor is -1.
>> Segmentation fault (core dumped)
>>
>> I will appreciate any suggestions that would fix this ...
>>
>> Thanks,
>> Yinglong
>>
>> Yinglong Miao, Ph.D.
>> Assistant Professor
>> Center for Computational Biology and
>> Department of Molecular Biosciences
>> University of Kansas
>> http://miao.compbio.ku.edu
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>
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Received on Mon Jan 13 2020 - 17:30:02 PST
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