[gmx-users] is there any tool for flexibility?
mailmd2011 at gmail.com
Sun Sep 1 18:28:53 CEST 2013
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 ;)
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.....
I don't know which tool or which method would be good to describe this
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