When you convert to pdb, you lose the velocities.
Bill
On 9/3/20 6:03 PM, Lod King wrote:
> Hello AMBER
>
> I extracted one frame and saved as pdb file, then I converted it to rst7
> file such that I can restart a new MD using that restart file, however, I
> encountered the following error in the output file:
>
> $ cpptraj -p protein_water.prmtop -y 1346.pdb -x 1346.rst7
>
> | ERROR: I could not find enough velocities in 1346.rst7
>
> Can someone specify ?
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Received on Thu Sep 03 2020 - 19:30:03 PDT
