On Sun, Sep 21, 2025, Kapali Suri via AMBER wrote:
>
>I have nad+ frcmod, prepi and mol2 file, but in tleap when I'm adding in
>complex files, I am facing this issue.
You don't say how you obtained the mol2 files, but it looks like it is using
Sybyl atom types, rather than GAFF atom types:
>
>Error: For atom (.R<***** 1719>.A<C9 15>) could not find vdW (or other)
>parameters for type (C.ar <http://c.ar/>)
>
>Error: For atom (.R<***** 1719>.A<O17 17>) could not find vdW (or other)
>parameters for type (O.3)
You need to prepare the mol2 files with antechamber in order to obtain
GAFF atom types.
...good luck...dac
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Received on Mon Sep 22 2025 - 09:30:02 PDT
