AMBER Archive (2006)

Subject: Re: AMBER: ptraj vector

From: Myunggi Yi (myunggi_at_gmail.com)
Date: Tue Jun 20 2006 - 13:20:53 CDT

I think I found a bug.

By removing "corr", I can avoid "segmentaion fault" problem.

The following input works.

vector v1 @12 @13 out cn.vec

If I use amber 7 format (without "corr" option before mask2), I can get cn.vec.

Then I can't use "analyze timecorr ..." command.

Is this a reported bug? or manual problem? or my problem?

On 6/20/06, Myunggi Yi <myunggi_at_gmail.com> wrote:
> Dear Amber users,
>
> I'm trying to extract vector information from a trajectory.
>
> The following is my ptraj input file.
>
> ====================
> trajin md2.trj.gz
> vector v1 @12 corr @13 out cn.vec
> go
> ====================
>
> I've got the "segmentation fault" message and the program crashed.
> I'm using Amber 8, and the trajectory doesn't have any problem.
> There was no problem, when I calculated 'distance', 'donor', 'acceptor',
> and 'hbond' , etc. .
>
> Any suggestion will be appreciated.
>
> --
> Best wishes,
>
> MYUNGGI YI
> ==================================
> KLB 419
> Institute of Molecular Biophysics
> Florida State University
> Tallahassee, FL 32306
>
> Office: (850) 645-1334
> http://www.scs.fsu.edu/~myunggi
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> 

-- 
Best wishes,

MYUNGGI YI
==================================
KLB 419
Institute of Molecular Biophysics
Florida State University
Tallahassee, FL 32306

Office: (850) 645-1334
http://www.scs.fsu.edu/~myunggi
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