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.....
I don't know which tool or which method would be good to describe this
observation...
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
