[gmx-users] fluctuation of protein coordinates
shailza_iitd at yahoo.com
Sat Feb 26 11:29:32 CET 2005
i am using GROMACS-3.2.1 and ran simulation of my
protein for 1ns..i want to calculate the RMSF's of the
C-alpha coordinates from their time averaged
values(last 200-ps simulation) as a function of
residue number but not being able to do so..also i
want to visualise the drift of protein structure from
the initial model..
Can anyone tell me how to do so?
It will be greatly appreciated.
Thanks in advance
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