[gmx-users] add atoms to gmx saxs

[Justin Lemkul]

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

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

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