VMD-L Mailing List
From: Jan Saam (jan.saam_at_charite.de)
Date: Mon Jan 29 2007 - 10:56:30 CST
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Hi Javaria,
you get the charmm types only if you have loaded the corresponding CHARMM
topology and parameter files that contain the VDW parameters for Zn and O.
Paratool should actually load a default CHARMM topology file which
contains the parameters for ZN and O. The file should be listed in
Paratool's main screen.
Jan
---------------------------
Jan Saam
Institute of Biochemistry
Charite Berlin
Monbijoustr. 2
10117 Berlin
Germany
+49 30 450-528-446
saam_at_charite.de
>
> Hi
>
> I am parameterizing a ZnO molecule using Paratool and following the steps
> mentioned in Paratool documentation. While assigning atom types, when I
> proceed to - Choose Type - step, I only get to choose atom types from UFF.
>
> I want to choose atom types Zinc Ion - ZN and Ester Oxygen - OS from
> charmm
> force fields instead of choosing some atom type from UFF.
>
> How do I get those atom types and their parameters in selection?
>
> Regards,
> Javaria
>
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