Re: [AMBER] Regarding distance between residue masks (ptraj)

From: Daniel Roe <>
Date: Thu, 19 Dec 2013 08:37:58 -0700


On Thu, Dec 19, 2013 at 5:47 AM, <> 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)?


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) 585-6208 (Fax)
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Received on Thu Dec 19 2013 - 08:00:02 PST
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