[gmx-users] add atoms to gmx saxs

Justin Lemkul jalemkul at vt.edu
Thu Feb 22 01:09:03 CET 2018

On 2/21/18 3:33 PM, Servis, Michael wrote:
> Is there a good way to add new atoms with their Cromer-Mann coefficients for use with gmx saxs? Thanks!

You can add entries to sfactor.dat (found in $GMXLIB).



Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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