AMBER Archive (2006)

Subject: Re: AMBER: ptraj vector

From: Myunggi Yi (myunggi_at_gmail.com)
Date: Tue Jun 20 2006 - 15:07:36 CDT

Thank you.

This issue doesn't relate to the output.
I have tried the followings, both didn't work.

==========================
vector v1 @12 [corr] @13
analyze timecorr vec1 v1 tcorr 2000 dplr out cn.cf
go
==========================

with and without "corr", and without "out" option.

On 6/20/06, Thomas Cheatham <tec3_at_utah.edu> wrote:
>
> > 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 am able to reproduce this; the issue relates to the output. If you do
> not specify an output file, this should work. We'll work to fix this
> issue...
>
> \-/ Thomas E. Cheatham, III (Assistant Professor) College of Pharmacy
> -/- Departments of Med. Chem. and of Pharmaceutics and Pharm. Chem.
> /-\ Adjunct Asst Prof of Bioeng.; Center for High Performance Computing
> \-/ University of Utah, 30 S 2000 E, SH 201, Salt Lake City, UT 84112
> -/-
> /-\ tec3_at_utah.edu (801) 587-9652; FAX: (801) 585-9119
> \-/ BPRP295A http://www.chpc.utah.edu/~cheatham
>
>
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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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