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From: Hélder Bandarra Tavares (H.D.BandarraTavares_at_tudelft.nl)
Date: Mon Jun 08 2020 - 12:51:07 CDT
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In the fixed atoms commands:
"fixedAtoms on
fixedAtomsFile fixprotein.pdb
fixedAtomsCol B"
What does B stand for? I did this:
"set all [atomselect top all]
set fixatom [atomselect top "protein"]
$all set beta 0
$fixatom set beta 1
$all writepdb fixprotein.pdb"
to get the file with beta values, but the atoms with beta=1 ended up moving in the simulation anyway, so I was wondering what could have gone wrong.
I appreciate any help.
Kind regards,
Hélder Tavares
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