[gmx-users] is there any tool for flexibility?

[Justin Lemkul]

On 9/1/13 12:28 PM, Albert wrote:
> On 09/01/2013 06:03 PM, Justin Lemkul wrote:
>> Maybe g_msd or g_rmsf, but I don't think there's anything specifically
>> designed to address water molecules, and the term "flexibility" can have far
>> too many meanings ;)
>>
>> -Justin
>
>
> thanks a lot for kind messages.
>
> but there are a lot of water molecules in those region. Moreover, those water
> molecules can exchange with bulk environment. In this case, it would be very
> difficult to use g_msd or g_rmsf for this purpose.....
>

Well, you wouldn't analyze everything at once, that's what index groups are for.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
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jalemkul at outerbanks.umaryland.edu | (410) 706-7441

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