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On 22/11/2010 11:03 PM, Adva Suez wrote:
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cite="mid:AANLkTinSE1ne=_JC4neH3jKE_AHgEhC0w3-vszNmD6US@mail.gmail.com"
type="cite">
<div dir="ltr">Hello,<br>
I'm using your KALP in DPPC tutorial to figure out how to
simulate a molecule in a membrane in GROMACS. I'm using version
4.5.2 and
from some reason I got an error in grompp whe trying generate
md_0_1.tpr.
<br>
the error is: <br>
<br>
Program grompp_mpi, VERSION 4.5.2<br>
Source code file: enxio.c, line: 1097<br>
<br>
Fatal error:<br>
Could not find frame with time 1000.000061 in
'../../membed_17_npt.edr.884814.edr'<br>
</div>
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<br>
That's a seriously weird .edr file name. What was your command line?<br>
<br>
Mark<br>
<blockquote
cite="mid:AANLkTinSE1ne=_JC4neH3jKE_AHgEhC0w3-vszNmD6US@mail.gmail.com"
type="cite">
<div dir="ltr">
<div dir="ltr">
<br>
This is weird because I only have 1000 frames in the NPT
run...<br>
Can you please help me?<br>
<br>
Thanks,<br>
Adva.</div>
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<br>
-- <br>
<div dir="ltr"><font face="arial, helvetica, sans-serif">Adva
Yeheskel<br>
Bioinformatics Unit<br>
Rm 001, Sherman bldg.,<br>
G.S.W. Faculty of Life Sciences<br>
Tel-Aviv University, ISRAEL 69978 <br>
<br>
Tel: 972-3-6406840; Fax: 972-3-6405098<br>
E-mail: </font><a moz-do-not-send="true"
href="mailto:suezadva@tauex.tau.ac.il" target="_blank"><font
face="arial, helvetica, sans-serif">suezadva@tauex.tau.ac.il</font></a><font
face="arial, helvetica, sans-serif"><br>
Web-site: </font>
<div style="display: inline;"><span style="border-collapse:
collapse;"><a moz-do-not-send="true"
href="http://www.tau.ac.il/lifesci/bioinformatics.html"
style="color: rgb(28, 81, 168);" target="_blank"><font
face="arial, helvetica, sans-serif">http://www.tau.ac.il/lifesci/</font><font
face="arial, helvetica, sans-serif">bioinformatics.html</font></a></span></div>
</div>
<br>
</div>
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