shahrbanoo karbalaee wrote:
Dear mark
excuse me. I attempt it again.in analysis result of md peptide I have
the table t consist of atoms number column and the other column
rmsd(nm).I want to know what is thename of atom which define
number 12 in backbone group ?Is it NCC for example related to ser
or another aminoacid ? Do I have to by hand or software spdbv. which
program is define number of atoms?in topology top number of atom is
defined but it is not compatible in backbone group.
thanks again
RMSD or RMSF? RMSD should not be broken down by atom, I think. In any case,
atom 12 in the analysis should be whatever atom 12 is in the topology/structure.
If you can provide a copy-paste example of where you think the problem is
occurring, that may help; I am still not entirely clear what the problem is.
-Justin
--
========================================
Justin A. Lemkul
Graduate Research Assistant
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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