[gmx-users] G_RMS after Replica exchange

Ricardo Soares rsoares at fcfrp.usp.br
Tue Sep 2 20:53:30 CEST 2008

Hello everyone,

I perform a simulation at 300K, then after 50 ns, I took the final 
structure and performed another one, but now at 274K. How can I compare 
this second trajectory's RMSD with the initial structure from the first 
simulation (300K)?
If I compare with the first tpr file or the initial pdb file, I get an 
error. If I compare with the second simulation's tpr file, it is done, 
but the comparison is not with the T=0.
Any ideas?



Ricardo Oliveira dos Santos Soares
Post-graduation Student in Biological Physics
University of Sao Paulo - USP
Faculty of Farmaceutical Sciences of Ribeirao Preto - FCFRP
Phone: 55 (16) 3602-4840
Curriculum Lattes - http://lattes.cnpq.br/0777038258459931

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