Hello Ross:
Here is the notes for this explanation I got:
*"Changing the cutoffs changes the forces between molecules, which are
used to compute the pressure terms....."*
On 06/15/2012 12:38 PM, Ross Walker wrote:
> Did they explain why? Seems bogus to me.
>
>
>
> On Jun 15, 2012, at 11:28, Albert<mailmd2011.gmail.com> wrote:
>
>> 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 - 11:30:02 PDT
