On 06/15/2012 12:02 PM, Ross Walker wrote:
>> Moreover, the surface tension values probably should also have
>> > something
>> > to do with the cutoff we use..... I don't know whether Ross have any
>> > comments on this aspects.
> No it should NOT depend on the cutoff. Why would you think it should depend
> on the cutoff?
>
> If it does then your cutoff is TOO SMALL, period!
>
> I suggest you check things carefully. Ultimately if you want to publish the
> work you will need to defend the surface tension you used so you might as
> well run a few hundred nanoseconds for the system you want to run with a
> range of surface tension values and then you'll be able to provide a
> justification of the value you used if a reviewer asks.
that's strange, because in recent CAHRMM workshop, the speaker emphasize
this issue and they state that the non-bonded cut off should influence
the surface tension.....
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Received on Fri Jun 15 2012 - 04:00:02 PDT
