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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Received on Wed Jul 12 2017 - 06:00:03 PDT
