[gmx-users] The molecular structure

Chih-Ying Lin chihying2008 at gmail.com
Wed Aug 27 00:26:18 CEST 2008


the molecular structure : bond length, bond angle, dihedral angle ....

the bond length, bond angle are easily determined..
but the dihedral angle are hard to control...

with one set of the force field parameter, I could not get the exact
structure of the molecule (not all of the dihedral  angles are the
same , but bond length and bond angle are the same)

will it affect my rest of simulation severely?


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