[gmx-developers] Re: Adding an artificial energy term for structure refinement

alex.bjorling alex.bjorling at gmail.com
Thu Aug 16 10:22:12 CEST 2012

Forgot to mention that the artificial energy term would of course be based on
some running average of predicted scattering, not the predicted scattering
of individual frames. My question remains, though, of whether GROMACS needs
explicit forces.

View this message in context: http://gromacs.5086.n6.nabble.com/Adding-an-artificial-energy-term-for-structure-refinement-tp5000240p5000242.html
Sent from the GROMACS Developers Forum mailing list archive at Nabble.com.

More information about the gromacs.org_gmx-developers mailing list