On Fri, Feb 19, 2016 at 4:17 PM, Renato Freitas <renatoffs.gmail.com> wrote:
> Dear All,
>
> I'm trying to run MMPBSA-Free Energy Decomposition, but for one of my
> ligands, which has a fluorine atom I am getting the following error:
>
> #################################################
> Loading and checking parameter files for compatibility...
> sander found! Using /opt/amber12/bin/sander
> cpptraj found! Using /opt/amber12/bin/cpptraj
> Preparing trajectories for simulation...
> 1 frames were processed by cpptraj for use in calculation.
>
> Running calculations on normal system...
>
> Beginning GB calculations with /opt/amber12/bin/sander
> calculating complex contribution...
> bad atom type: f
>
If you take this error message and put it into Google, there are a number
of hits that should help you solve the problem.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Feb 19 2016 - 21:00:04 PST
