On Mon, Jul 17, 2023, Priyasha Majee via AMBER wrote:
>
>Error: For atom (.R<MOL 351>.A<P1 1>) could not find vdW (or other)
>parameters for type (p4)
Looks like you forgot to load leaprc.gaff2.
>
>my input files is:
>
>source leaprc.protein.ff14SB
>source leaprc.DNA.bsc1
>source leaprc.water.tip3p
>IN2 = loadmol2 IN2.mol2
>loadamberparams IN2.frcmod
>MOL = loadmol2 N2-Ethyl-fit.mol2
>loadamberparams N2-Ethyl-fit.frcmod
>unit = loadpdb complex2.pdb
>savepdb unit mod.pdb
>addions unit Na+ 0
>solvatebox unit TIP3PBOX 10.0
>saveamberparm unit mod.prmtop mod.inpcrd
>savepdb modsol2.pdb
>quit
>
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Received on Mon Jul 17 2023 - 05:00:02 PDT
