On Mon, 2014-04-21 at 09:29 -0400, Geoffrey Gray wrote:
> Hi, I am running ABMD simulations using the flooding mode. The
> documentation says that these free energies can be accessed from the .nc
> output using the ncsu-umbrella-slice utility. However, I cannot find this
> program. How can I access the free energy profile? Thanks
We've just put the ncsu-umbrella-slice source code under the "downloads"
section of the Amber website.
You'll have to configure and compile the code there. Something like
this:
cd ncsu-umbrella-slice/
./configure --with-netcdf-prefix=$AMBERHOME
make
make install
This should install the program to /usr/local/bin (or you can specify
--prefix to configure to have it install elsewhere).
For the record, this code is quite old and is not really supported
anymore (I don't know of any developers actively using the NCSU
functionality). So you will probably get only very limited (if any)
support from the mailing list.
Good luck,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Apr 21 2014 - 10:00:02 PDT
