Re: "didn't find VdW parameter for atom type NH3" error

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Tue Jun 29 2010 - 13:17:44 CDT

This is not a CG psf...
Best,
Peter

On 06/29/2010 08:06 AM, Emily Chen wrote:
> Hi,
> I'm new to NAMD. I am trying to run a coarse grained simulation, but I
> keep getting back this error:
> "FATAL ERROR: DIDN'T FIND VdW PARAMETER FOR ATOM TYPE NH3."
> I looked in the FAQ, which suggested adding name="MAIN" at the segment
> statement but I'm not sure what that means. I tried typing in the
> commands in the psfgen guide
> <http://www.ks.uiuc.edu/Research/vmd/plugins/psfgen/ug.pdf> (modified
> to fit my files) but I got errors.
> The .conf, <http://docs.google.com/View?id=dcszqv99_129htpg5xdn>
> parameter, <http://docs.google.com/View?id=dcszqv99_130g4xxmwhm> and
> part of the psf <http://docs.google.com/View?id=dcszqv99_132d984xhf9>
> I used, as well as one of the .log
> <http://docs.google.com/View?id=dcszqv99_133d88p5mcn> files it put out.
>
> Thank you!
> Emily

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