[gmx-users] add atoms to gmx saxs
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.
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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