[gmx-users] bfactor

smith gsmith1 at rediffmail.com
Fri May 14 11:46:33 CEST 2004

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hi all,
I have certain queries to ask

I have completed md on a protein for ns.

1.I want pdb files at say at every 25 ps interval with bfactors attached in the pdb files as u see in crystallographically solved structure.

2.Actually I want to see variation in B-factors for the atoms during the period of simulation,like rmsd with respect to time.
BY using trjconv i got pdbfiles at desired time intervals,but bfactor variation how to get it,is there a option.
thanls for any suggestion.cheers -smith 

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