Dear Amber Users,
I am using atomicfluct to calculate the rmsf , I presume the units are in
Angstrom .
Is is related to translational motion only .
I used it as below
trajin md.x
reference ../all.pdb
rms reference out rms :1-12.S1,C2,C3,C4,C5
atomicfluct out file.dat :1-12.S1,C2,C3,C4,C5 byres
Can anyone suggest , on the way I have specified the reference structure
from where it will calculate the fluctuations (i.e an average structure), is
correct or not .I appreciate your help.
Thanks
John
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Received on Sat Dec 11 2010 - 23:00:04 PST
