[gmx-developers] Accessing forcefield data
ulmschne at caspur.it
Tue Jul 6 21:41:42 CEST 2004
I would like to check the forcefield data (i'm interested in the
forcefield bond lengths r0 and angles alpha0) in gromacs. Could you
please tell me which structure they are in and how i can access them?
E.g. the mass of atom j can be accessed by mass = top->atoms.atom[j].m.
Is there a simlar way to access b0 and alpha0?
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