On 22/11/2010 11:03 PM, Adva Suez wrote:
Hello,
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.
the error is:
Program grompp_mpi, VERSION 4.5.2
Source code file: enxio.c, line: 1097
Fatal error:
Could not find frame with time 1000.000061 in
'../../membed_17_npt.edr.884814.edr'
That's a seriously weird .edr file name. What was your command line?
Mark
This is weird because I only have 1000 frames in the NPT run...
Can you please help me?
Thanks,
Adva.
--
Adva Yeheskel
Bioinformatics Unit
Rm 001, Sherman bldg.,
G.S.W. Faculty of Life Sciences
Tel-Aviv University, ISRAEL 69978
Tel: 972-3-6406840; Fax: 972-3-6405098
E-mail: [email protected] <mailto:[email protected]>
Web-site:
http://www.tau.ac.il/lifesci/bioinformatics.html
<http://www.tau.ac.il/lifesci/bioinformatics.html>
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