Hi Gustaf,
You may want to try AMBAT which we have developed for preparing lipid systems, it is in AT 18.
Cheers,
Ian
Tyrell: I'm surprised you didn't come here sooner.
Roy: It's not an easy thing to meet your maker.
Tyrell: What could he do for you?
Roy: Can the maker repair what he makes?
Bladerunner
--
Professor Ian R Gould, FRSC.
Professor of Computational Chemical Biolog
Department of Chemistry
Imperial College London
Exhibition Road
London
SW7 2AY
E-mail i.gould.imperial.ac.uk
Tel +44 (0)207 594 5809
On 05/07/2018, 13:38, "David A Case" <david.case.rutgers.edu> wrote:
On Wed, Jul 04, 2018, Gustaf Olsson wrote:
> The packmol installation bundled with amber fails to build a system with the following error
>
> ERROR: Packmol was unable to put the molecules
> in the desired regions even without
> considering distance tolerances.
> Which is a bit of a surprise since the packmol installation from
> “packmol” builds the same system without error. Is this expected
> behaviour?
Thanks for the report.
Can you provide a simple example that illustrates the problem?
...regards....dac
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Gustaf,
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Received on Thu Jul 05 2018 - 06:00:06 PDT
