Re: [AMBER] umbrella sampling on a difference of distances RC.

From: <dacase.rci.rutgers.edu>
Date: Wed, 4 May 2011 10:51:37 -0400 (EDT)

>>
>> Now, I disagree with Dave in that difference of distances IS already in
>> the amber code.
>>
>> Things like this (please look at the manual, page 177 for amber11):
>>

>
> The NCSU code does this as well. Volodymyr Babin coded this at my request
> as a
> patch for Amber10, and it is in Amber11 as released.
> It is called "Linear Combination of Distances", LCOD, in the
> documentation.
>

Thanks to Adrian and Bud for their updates. Seems my main contribution
nowadays is to post an incorrect answer, to encourage others to provide
the corrections!

....dac



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Received on Wed May 04 2011 - 08:00:04 PDT
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