Hello!
Actualy g_sans from release-4.6 can only compute SANS scattering only
for one structure. Trajectory avereging was already merge to master. So
you can cherry pick one commit. Or i can send you patch against
release-4.6
XUEMING TANG писал 19-12-2012 00:59:
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?
Thank you and happy holidays :P !!
Best!
Xueming
--
Best Regards,
Alexey 'Alexxy' Shvetsov
Petersburg Nuclear Physics Institute, NRC Kurchatov Institute,
Gatchina, Russia
Department of Molecular and Radiation Biophysics
Gentoo Team Ru
Gentoo Linux Dev
mailto:alexx...@gmail.com
mailto:ale...@gentoo.org
mailto:ale...@omrb.pnpi.spb.ru
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
