Alan Dodd wrote:
I had a similar error yesterday, try writing the
problem frames to pdb or something similarly readable.
I found that the frame I crashed at had been
corrupted somehow, and the coordinates for a chunk of
my system were all messed up - either way, you should
be able to see the problem. xtc files seem to be a
little more sensitive to glitches than the rest.
with 3.3 you could try to use trjconv to extract the second bit by
giving the -b option, it may hop over the point where the file is broken.
--- manmohan singh <[EMAIL PROTECTED]> wrote:
Hi there!
I was wondering if one can reply me about error that
i
m getting.
while concatenating .xtc file having both solvent
and
protein following error is shown.
============================================================================
Continue writing frames from extend4ns.xtc t=2000
ps,
frame=4000
Reading frame 540 time 2270.000 Fatal error:
Magic Number Error in XTC file (read 43333021,
should
be 1995)
============================================================================
but no error was obseverd while concatenating .xtc
file having only protein
Sincerely
manmohan
************************************************************************
Manmohan Singh Gurjar
M.Sc.Biotechnology(IInd year)
School of Bioscience and Bioengineering
IIT Powai
Mumbai-400076
e-mail [EMAIL PROTECTED]
[EMAIL PROTECTED]
mobile- 9819850822
************************************************************************
__________________________________________________
Do You Yahoo!?
Tired of spam? Yahoo! Mail has the best spam
protection around
http://mail.yahoo.com
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
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
__________________________________________________
Do You Yahoo!?
Tired of spam? Yahoo! Mail has the best spam protection around
http://mail.yahoo.com
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
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
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
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
