[gmx-users] g_rms v. g_rmsdist

Gleb Solomentsev Gleb.Solomentsev at ucd.ie
Thu Mar 15 18:32:36 CET 2007


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 

What fit is this referring to and would this be the source of my 

I am getting larger RMSD values using g_rms.


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20070315/32cabbfa/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: gleb.solomentsev.vcf
Type: text/x-vcard
Size: 262 bytes
Desc: not available
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20070315/32cabbfa/attachment.vcf>

More information about the gromacs.org_gmx-users mailing list