Olga Ivchenko wrote:
Dear Gromacs users,
Does some one know if -sel option for g_hbond command is working in
gromacs beta 4.5. Because when I try to run fir individual Hbonds
privided in second index file gromacs can not recognize -sel command.
I don't think the -sel option has worked for several years (if it ever did).
The message in 4.5.3 makes this pretty clear:
"KNOWN PROBLEMS
----------
* The option -sel that used to work on selected hbonds is out of order, and
therefore not available for the time being."
You probably shouldn't be using a beta version; there have been dozens of bug
fixes that are implemented in the actual release versions.
-Justin
Yours sincerely,
Olga
--
========================================
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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