AMBER Archive (2004)

Subject: AMBER: RSM fluctuation & residues

From: bybaker_at_itsa.ucsf.edu
Date: Fri Oct 29 2004 - 15:21:42 CDT

('binary' encoding is not supported, stored as-is) Hello, Amber:

I would like to extract the rms fluctuation information on certain
residues. Here is my input: 

----
trajin model1-3-md1.crd
center :1-215 mass origin
mass origin center

rms first mass out rms_200-215.dat :200-214 
atomicfluct out fluct_byatom1.dat :200-214
atomicfluct out fluct_byres1.dat :200-214

strip :WAT
go

----

It went through. When I check the outputs, only the atom fluctuation data 
are there. How can I tell the program to extract rms fluctuation by
residues rather than atom?

Thank you for your help.

Bo 

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