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

From: João Ribeiro (jribeiro_at_ks.uiuc.edu)
Date: Wed Oct 31 2018 - 12:05:35 CDT

Dear Dipak,

please consider the following vmd-l discussion and check if the suggestions
made by Chris Mayne help to fix your problem. Please also check the rest of
the discussion.

https://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/26280.html

Best

João

On Fri, Oct 26, 2018 at 2:25 PM Dipak Balasaheb Sanap <dipakbs_at_udel.edu>
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.
>

-- 
……………………………………………………...
João Vieira Ribeiro
Theoretical and Computational Biophysics Group
Beckman Institute, University of Illinois
http://www.ks.uiuc.edu/~jribeiro/
jribeiro_at_ks.uiuc.edu
+1 (217) 3005851

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