Dear David,
I am interesting in you opinion if it possible in Amber to simulate a
flow on the surface of the membrane via adding a selectively an
acceleration to the solvent (water) in the selected direction?
Alternatively, is it possible via steered md to apply a directed force
on the selected part of the membrane-embedded protein (its
water-exposed loops), which should be again applied in a parallel
direction to the membrane.
Thanks!
Gleb
2017-07-20 17:01 GMT+02:00 David A Case <david.case.rutgers.edu>:
> On Thu, Jul 20, 2017, James Starlight wrote:
>
>> All of they refereed to the application of the steered MD protocols
>> done in N*MD, so for me is interesting of the application of the same
>> things in amber ... because I like amber more :-)
>
> Well, one can certainly do steered MD in Amber....dac
>
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Received on Fri Jul 21 2017 - 02:00:03 PDT
