On Thu, Sep 19, 2019, Sunita Patel wrote:
>
>We are trying to convert *.prmtop and *.rst files obtained after energy
>minimization into a pdb file using ambpdb command. The *.prmtop file is
>obtained by adding extra CMAP parameters (FF14IDPSFF) to the original
>prmtop file obtained from FF14SB force field. However, we got the following
>error message.
There is in principle no reason why ambpdb should have any problems with
prmtop files that contain CMAP parameters. It is possible that
something went wrong when you added the CMAP parameters (how did you do
that?) If you can post a small example that illustrates the problem,
we can try to track things down.
Or, compare your prmtop to that in
AMBERHOME/AmberTools/test/chamber/dhfr_cmap_pbc. ambpdb works fine for
me on those files.
...good luck...dac
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Received on Fri Sep 20 2019 - 06:30:04 PDT
