From: johan strumpfer (johanstr_at_ks.uiuc.edu)
Date: Thu Apr 07 2011 - 09:23:02 CDT
It looks like you have an incorrect angle specified in your psf file.
There shouldn't be an HT--HT--OT angle (I presume this is for TIP3P
On Thu, Apr 7, 2011 at 8:17 AM, Gary M. Skinner <ga_skinner_at_hotmail.com> wrote:
> Hi All,
> Reading through the mailing list, I can see that this is a known issue with
> Namd. I still don't quite understand how this is solved, what files should
> I change, and where? If someone could explain in simple terms how to fix
> this, I would be very grateful?
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