Rebeca García Fandiño wrote:
<mailto:[email protected]>
Hello,
I am trying to joing different .xtc fragments of a gromacs trajectory
using trjcat (Gromacs 4.0.2 version).
trjcat_sp -f file1.xtc file2.xtc -o join1_2.xtc
I get the following error:
(...)
Reading frame 1 time 22202.002
Summary of files and start times used:
File Start time Time step
---------------------------------------------------------
file1.xtc 0.000 ps 2.000 ps
file2.xtc 22200.002 ps 2.000 ps
Reading frame 0 time 0.000
Continue writing frames from file1.xtc t=0 ps, frame=0
-> frame 5610 time 11220.001 ps -> frame 5000 time 10000.000 ps
-------------------------------------------------------
Program trjcat_sp, VERSION 4.0.2
Source code file: xtcio.c, line: 85
Fatal error:
Magic Number Error in XTC file (read 0, should be 1995)
-------------------------------------------------------
Please, could anyone help me with the origin of this error?
What does gmxcheck tell you about each of these files?
-Justin
Thank you very much for your help, in advance.
Best wishes,
Rebeca Garcia
Parc Cientific de Barcelona
[email protected] <mailto:[email protected]>
------------------------------------------------------------------------
El doble de diversión: Con Windows Live Messenger comparte fotos
mientras hablas.
<http://www.microsoft.com/windows/windowslive/products/messenger.aspx>
------------------------------------------------------------------------
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
