Re: setting up simulation in vmd using charmm 36 forcefield

From: JC Gumbart (gumbart_at_physics.gatech.edu)
Date: Mon May 30 2016 - 07:29:44 CDT

Try “parameters”.

Best,
JC

> On May 27, 2016, at 5:28 PM, Rabeta Yeasmin <rabetayeasmin_at_gmail.com> wrote:
>
> Hi,
>
> I had set up a simulation for human beta defensin-3 protein dimer using charmm 27 force field before and now I am trying to sest up simulation using charmm 36 force field for this molecule. This time I use top_all36_prot_lipid.rtf and par_all36_prot_lipid.prm files to set up the simulation. But pre file output showing this-
>
> ERROR: The following variables were set in the
> ERROR: configuration file but are NOT VALID
> ERROR: parameter
> FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE
>
> And the simulation is not running. Can anyone please help me with this?\
>
> Thank you

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