Dear Amber users !
I am using the following command of cpptraj to obtain rmsf graph from
mainchain atoms:
atomicfluct out rmsf_mainchain.dat .N,CA,C,O byres
would it be possible also to damp a pdb contained this atomic subset with
the rmsf data stored in the B-factor column ?
e.g in the following format:
ATOM 1 N GLY 1 90.827 73.334 107.744 1.00635.68
N
ATOM 5 CA GLY 1 90.014 74.558 107.905 1.00635.68
C
ATOM 8 C GLY 1 89.584 74.926 109.235 1.00635.68
C
ATOM 9 O GLY 1 89.345 74.130 110.159
1.00635.68 O
Many thanks in advance
Enrico
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Received on Mon Jul 15 2024 - 02:00:02 PDT
