On Mon, Jul 15, 2019, shivangi agarwal wrote:
>
>Could you please help me in coming out of the above error?.
>Highlights:
>I am loading frcmod.ionsjc_tip3pfor monovalent ions, but still getting
>error as:
>Error: For atom (.R<Na+ 11808>.A<Na+ 1>) could not find vdW (or other)
>parameters for type (IP)
>Warning: Parameter file was not saved.
Unless you are quite experienced, you should not directly load any
libraries or frcmod files. Rather, pick the leaprc files (from the
AMBERHOME/dat/leap/cmd folder) that match what you want, and load just
those. Everthing you need for TIP3P water and ions should be in
leaprc.water.tip3p.
For zinc, make sure that both the atom and the residue name are "ZN" in
you input pdb file.
....dac
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Received on Mon Jul 15 2019 - 04:30:02 PDT
