Omer Markovitch wrote:
Hello,
I would like to ask for your help in defining groups:
Say I have a protein. I would like to have two groups (1) the Calpha
backbone (2) everything else.
Later on, I will want to freeze the Calpha group.
How can I define these groups? Where?
I have looked in the manual, but I do not understand how to do it and in
which files.
Groups are defined in index files (.ndx), which are created with make_ndx.
Calpha is a default group read in from a protein structure. To create a group
that is everything but Calpha (group 3 in the make_ndx list), you would use
!3
at the make_ndx prompt.
-Justin
Thank you, Omer Markovitch.
Koby Levy research group,
Weizmann Institute of Science.
http://www.weizmann.ac.il/sb/faculty_pages/Levy/
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
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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