Poojari, Chetan wrote:
Hi,
I am doing data analysis of umbrella sampling tutorial. I have created 2 files :
a) tpr-files.dat (under this folder i got )
144.tpr
169.tpr
300.tpr
400.tpr
500.tpr
b) pullf-files.dat
pullf144.xvg
pullf169.xvg
pullf300.xvg
pullf400.xvg
pullf500.xvg
When i run this command:
g_wham -it tpr-files.dat -if pullf-files.dat -o -hist -unit kCal
I get the following error:
Found 0 tpr and 0 pull force files in tpr-files.dat and pullf-files.dat,
respectively Reading 0 tpr and pullf files.
But both tpr-files.dat and pullf-files.dat contain all the .tpr and .xvg files·
Please can someone suggest me how to go about this error message.
The only thing I can think of is incompatible line endings (i.e., Windows).
Otherwise, plain text input is rather straightforward.
-Justin
Kind regards,
chetan.
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Forschungszentrum Juelich GmbH
52425 Juelich
Sitz der Gesellschaft: Juelich
Eingetragen im Handelsregister des Amtsgerichts Dueren Nr. HR B 3498
Vorsitzender des Aufsichtsrats: MinDirig Dr. Karl Eugen Huthmacher
Geschaeftsfuehrung: Prof. Dr. Achim Bachem (Vorsitzender),
Dr. Ulrich Krafft (stellv. Vorsitzender), Prof. Dr.-Ing. Harald Bolt,
Prof. Dr. Sebastian M. Schmidt
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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