[MMTK] trajectory suitable for nMoldyn?

Jose Borreguero borreguero at gmail.com
Thu Nov 6 21:24:36 UTC 2008


Dear nMoldyn users,

I am using nMoldyn for the first time and my results seem crappy. Maybe I am
doing something very wrong.

I couldn't find a tutorial for nMoldyn. Does anyone have a benchmark I can
use ? That is, an MMTK trajectory along with some graph showing what the
incoherent scattering structure factor should look like.
This would greatlty help me to understand what is going on with my results.

Best regards,
-- 
Jose M. Borreguero
Postdoctoral Associate
Oak Ridge National Laboratory
P.O. Box 2008, M.S. 6164
Oak Ridge, TN 37831
phone: 865-241-3071 fax: 865-576-5491
Email: borreguerojm at ornl.gov
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