haifeng YUAN wrote:
Dear all,
I would like to get the distance information of the small
peptide chain from the .xtc file, but the g_mindist seems can only get
the distance information from one group to another. How I can get the
end to end distance? I mean the distance between an end atom of the
short chain to the other end atom?
g_dist with appropriate index groups.
-Justin
Thanks in advance.
Cheers,
Haifeng YUAN
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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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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