Visar inlägg med etikett RealMolecule. Visa alla inlägg
Visar inlägg med etikett RealMolecule. Visa alla inlägg

fredag 13 mars 2026

RealMolecule

Here is a first example of RealMolecule as RealQM for molecules showing hairpin protein in 75% folded position, adding first backbone C, O and N  atoms and the H atoms and finally showing forces active on kernels steering the folding process:



Check out Claes542/H2O at GigHub for codes to test.