AMBER Archive (2007)

Subject: Re: AMBER: binary restart file

From: Myunggi Yi (myunggi_at_gmail.com)
Date: Sun Oct 07 2007 - 18:39:44 CDT

Yes I have.
ptraj can't read the restart file.
I used ioutfm=1 with ntxo=0.
I know the trajectory file is netcdf file (a binary fortamt) can be read
by ptraj.
The restart file (another binary format) couldn't be read by ptraj.

On 10/5/07, Gustavo Seabra <gustavo.seabra_at_gmail.com> wrote:
> > Is the binary restart file (generated by ntxo=0) readable by ptraj?
>
> NTXO=0 means to write an 'unformatted' restart file, but that doesn't
> mean it is binary. To write binary trajectories, you need to specify
> IOUTFM=1.
>
> Have you tried to run your output from NTXO=0 through ptraj?
>
> Gustavo.
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
> 

-- 
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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu