Unfortunately there's no infrastructure for that, so you should either
consider something like MDAnalysis, or resort to trjconv -dump to get
single frames to give to editconf.
On Fri, Feb 2, 2018 at 2:02 PM ZHANG Cheng <272699...@qq.com> wrote:
> Dear Gromacs,
> I am using:
> gmx editconf -f protein.pdb -bf bf.dat -o bf.pdb
> to assign b-factor values to "protein.pdb", which contains multiple pdb
> frames. However, the output "bf.pdb" only includes the first frame.
> Can I ask is there a way to assign b-factor values to all the frames of
> one pdb file?
> Yours sincerely
> Gromacs Users mailing list
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