Re: [AMBER] Force calculation during SMD (jar=1): I'm looking for insights

From: Jan-Philip Gehrcke <jgehrcke.googlemail.com>
Date: Tue, 11 Dec 2012 14:34:20 +0100

On 12/11/2012 02:21 PM, Jason Swails wrote:
>>
>> The distance restraint system we're dealing with can be modeled by two
>> masses that are connected by a string, while none of the masses is in
>> fixed position and the length of the string varies over time, right?
>> This system is just superposed on top of the normal force field and
>> solved numerically. In this picture it is obvious that the spring
>> mediates symmetric forces acting on both atoms. Do we agree :-)?
>>
>
> Assuming you meant spring (or a string with spring-like qualities ;)), I
> would agree. </joke>

Ha, at least I got it right once out of three (:

Okay, this is clarified. Thanks!

Jan-Philip


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Received on Tue Dec 11 2012 - 06:00:02 PST
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