Hi,
On Thu, Dec 19, 2013 at 5:47 AM, <agarai.physics.iisc.ernet.in> wrote:
> mass of residues 1,76 and 38,39. But the values that I get as output are
> very much smaller than the expected values. I have checked the trajectory
> files and the .prmtop file and they seem to be fine. I am in doubt,
> whether my input file is wrong or is there some other source for the
> error. Kindly help.
>
It's not clear to me why you think this is an error. What are you basing
your expected values on? What exactly did you do to check your
trajectory/topology (did you visualize it, etc)?
-Dan
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Thu Dec 19 2013 - 08:00:02 PST
