Hi,
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.
Mark
On Fri, Feb 2, 2018 at 2:02 PM ZHANG Cheng <272699...@qq.com> wrote:
> Dear Gromacs,
> I am using:
>
>
> gmx
On 2/2/18 8:01 AM, ZHANG Cheng 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
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