Hello Feng,
Thanks very much for your reply! The input and output files are in the
Dropbox:
https://www.dropbox.com/s/1b9gl9te86xvjci/dialanine-2d.zip?dl=0
All the best,
Qinghua
On 07/13/2017 11:24 PM, Feng Pan wrote:
> Hi, Qinghua
>
> The suffix should not matter, can you send me your mdin and mdout files
> to check?
>
> Feng
>
> On Wed, Jul 12, 2017 at 8:37 AM, Qinghua Liao <scorpio.liao.gmail.com>
> wrote:
>
>> Hello All,
>>
>> I tried to run adaptively biased MD simulations with multiple walkers on
>> the dialanine system from the tutorial with Amber 16:
>> http://ambermd.org/tutorials/advanced/tutorial31/
>>
>> I did not change anything of the input files, the simulation ran well, I
>> can get the output for monitor_file. But I found one problem that I did
>> not get the output files of umbrella_file and wt_umbrella_file: bias.nc
>> and wt_bias.nc.
>>
>> And I found that the files for umbrella_file and wt_umbrella_file in the
>> test examples are all empty. Could someone give some tips here?
>>
>> One more question, is suffix of nc necessary for the files, or any
>> suffix should be OK? Thanks a lot!
>>
>>
>> All the best,
>> Qinghua
>>
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>>
>
>
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Received on Thu Jul 13 2017 - 15:00:03 PDT
