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10 Feb
2018
10 Feb
'18
6:10 a.m.
Hello, i am refining neutron data with hydrogens on water molecules complexes that systematically bounce the whole molecule away from the hydroxyls or carboxylic groups or other waters. the Fo-Fc map is crystal clear about where the H atoms should go... any commands i can enter in i.e. a .param file to inhibit repulsion and promote closer h bonds? thanks for your help, cheers, Dr. Maxime Cuypers Post-Doctoral Research Associate, Structural Biology St Jude Children s Research Hospital, 262 Danny Thomas Place Memphis, TN 38105-3678, USA