Re: [AMBER] Ambertools compilation without Netcdf

From: Daniel Roe <>
Date: Mon, 8 Jul 2013 21:00:03 -0600


If the test diffs look normal to you (i.e. the differences seem to be
just round-off errors) then you're probably OK. I can't remember if in
AT 1.5 I protected all of the tests for cpptraj that require NetCDF,
so those could potentially show up as false positives. However, you
may want to upgrade to AmberTools 13. In the latest patched version of
AmberTools 13 (which is freely available and can be used alongside any
other Amber distribution) the NetCDF-dependent tests should exit

On Mon, Jul 8, 2013 at 6:56 PM, Collins Nganou <> wrote:
> While compile Ambertools1.5 in Amber10 Home, I was struggled with Netcdf
> linked library. I decided to compile Amber1.5 without Netcdf. The

Could you describe more what system you were trying to compile on,
what compilers you were using, etc? I highly recommend using NetCDF
trajectories for simulation and analysis as they are faster to process
and write, have better precision, and are less error prone than ASCII


Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
(801) 587-9652
(801) 585-9119 (Fax)
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Received on Mon Jul 08 2013 - 20:30:02 PDT
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