Re: VMD inorganic builder plugin

From: Robert Brunner (rbrunner_at_illinois.edu)
Date: Thu Mar 17 2011 - 14:17:48 CDT

The VMD distribution currently contains experimental parameters for amorphous silica, crystalline SiO2, and crystalling Si3N4. These parameters were used for particular projects in the TCB group, and may or may not be suitable for other types of simulations.

The plugin does not include parameters for other material types.

Robert

On Mar 17, 2011, at 5:36 AM, dota alexiou wrote:

>
> Hello.
> I have a question about the inorganic builder plugin in VMD. In the tutorial it says:
> (Task menu/Build device) : ''Save par file: For some material types,the plugin includes a parameter file in the CHARMM format which may be appropriate for some simulations..."
> Which are these materials for which i can use NAMD-VMD & a parameter file already exsist & also the CHARMM FF i use through NAMD can perform the calculations???
> .."for some simulations??"...i guess the simulations of an inorganic material combined with proteins,needs to add new parameters in CHARMM FF?thank u!
>
>

----------------------------------------------
Robert Brunner
rbrunner_at_illinois.edu
217-333-7677

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