Re: Charmm++ error

From: Sourav Ray (souravray90_at_gmail.com)
Date: Sun Nov 20 2016 - 17:10:44 CST

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Hi Matthew

This should help, remember to include all parameter files even if it's not
relevant for your system.

http://mackerell.umaryland.edu/charmm_ff.shtml
http://mackerell.umaryland.edu/~kenno/cgenff/downloader.php?filename=toppar_water_ions_namd.str

Regards
Sourav

On Mon, Nov 21, 2016 at 4:29 AM, matthew reeves <mreeves94_at_gmail.com> wrote:

> Hello,
>
> I’m attempting to run a NAMD simulation on a small section of the human
> growth hormone, but I get the following error message.
>
> Charm++ fatal error: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE HB1
>
> It has come to my attention that I require the par_all36_prot.prm file but
> I have no idea how to go about obtaining it. Can anyone tell me where to
> get this parameter from?
>
> Thanks
> Matthew.
>

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