Re: FFtK Tutorial (Urey-Bradley angles error).

From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Thu Nov 01 2018 - 01:31:51 CDT

This turned out to be an old harmless bug that tricked the new CUDA bonded
code into trying to validate uninitialized data that would never be read.

Jim

On Fri, 26 Oct 2018, Dipak Balasaheb Sanap wrote:

> Hi all, I am a new user of NAMD and trying to learn fftk tool. I am just
> doing the tutorial to parameterize ethanol from scratch. Everything works
> out till charge optimization but I get the following error in Opt. Bonded
> tab.
>
> ------------- Processor 0 Exiting: Called CmiAbort ------------
> Reason: FATAL ERROR: ERROR: Can't use cosAngles with Urey-Bradley angles
>
> Charm++ fatal error:
> FATAL ERROR: ERROR: Can't use cosAngles with Urey-Bradley angles
>
> I also tried using all the default examples files provided in the tutorial
> and still get the same error. Any help would be appreciated.
>
>
> Best,
> Dipak B. Sanap
> Phd Student.
> University of Delaware.
>

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