Hello,
I am trying to figure out what the difference between these two
applications is. The calculation is of the RMSD for a protein unfolding
trajectory and I get different results with g_rms and g_rmsdist. I have
looked at the manual and all I can find is that:
"g_rmsdist computes the root mean square deviation of atom distances,
which has the advantage that no fit is needed like in standard RMS
deviation as computed by g_rms
<http://www.gromacs.org/documentation/reference/online/g_rms.html>."
What fit is this referring to and would this be the source of my
differences?
I am getting larger RMSD values using g_rms.
Thanks,
Gleb
begin:vcard
fn:Gleb Solomentsev
n:Solomentsev;Gleb
org:University College of Dublin;Chemical and Bioprocess Engineering
adr:;;UCD Belfield;Dublin;;4;Ireland
email;internet:[EMAIL PROTECTED]
title:PhD Student
tel;work:+353 1 716 1691
version:2.1
end:vcard
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