[gmx-users] fluctuation of protein coordinates

shailza singh shailza_iitd at yahoo.com
Sat Feb 26 11:29:32 CET 2005

hi all,
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

Yahoo! India Matrimony: Find your life partner online
Go to: http://yahoo.shaadi.com/india-matrimony

More information about the gromacs.org_gmx-users mailing list