On 12/21/12 12:55 PM, Alexey Shvetsov wrote:
Justin Lemkul писал 19-12-2012 01:10:
On 12/18/12 3:59 PM, XUEMING TANG wrote:
Hi there
I searched through the website for g_sans, which is a simple tool to
compute Small Angle Neutron Scattering spectra. But I cannot find it in
gromacs folder?
I found it in the following website:
http://gromacs.5086.n6.nabble.com/g-kinetics-g-options-g-dos-g-dyecoupl-and-g-sans-description-missing-td4999165.html
Is there any ready to use script for SANS in Gromacs?
The code is still being reviewed and has not be merged into the
development version at this time.
https://gerrit.gromacs.org/#/c/1828/
Hi Justin!
No this code not for sans. Its for Neutron Spin Echo.
Thanks for the clarification - I only mentioned it because that change also
modifies gmx_sans.c, so I thought it was worth pointing out that there are
ongoing changes in the file. Guess I should have been a bit more detailed in my
original post. Apologies for any confusion.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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