Dear all,
a tutorial showing the functionality of the free energy workflow tool
FEW is now available at
http://ambermd.org/tutorials
Best regards,
Nadine
On 10/20/2014 03:38 PM, Nadine Homeyer wrote:
> Dear all,
>
> a case study showing the file structure created by FEW for the ligand
> binding study published in
>
> Homeyer, N., Gohlke, H.
> FEW - A workflow tool for free energy calculations of ligand binding.
> J. Comput. Chem. 2013, 34, 965–973.
>
> is now available at http://cpclab.uni-duesseldorf.de/software
>
> A tutorial for FEW will be provided soon at http://ambermd.org/tutorials
>
> Best regards,
> Nadine
>
>
> On 10/16/2014 03:32 PM, David A Case wrote:
>> On Thu, Oct 16, 2014, sabine.ruppel.boehringer-ingelheim.com wrote:
>>>
>>> Thanks for your answer. Unfortunately, the website of the university of
>>> Duesseldorf has no additional info, it just brings you back to the Amber
>>> website.
>>>
>>> I will take a look at the example files (path isn't specified in the
>>> reference manual) and see how far I get.
>>
>> We'll get the Manual updated with full paths...thanks for pointing that out.
>>
>> I'm cc-ing this to Holger, to see if the tutorials that are mentioned in the
>> Amber Reference manual really exist yet.
>>
>> ...regards...dac
>>
>>
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>
>
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Received on Tue Dec 02 2014 - 00:00:02 PST
