[gmx-users] What is gbsa.itp in oplsaa of gmx4.5.5?

Wu Chaofu xiaowu759 at gmail.com
Sun Sep 2 11:14:38 CEST 2012


Dear gmxers,
I am puzzling about the gbsa.itp file as listed below. What does each
item mean? Could you please explain it?
;atype  sar st pi gbr hct
opls_102 0.16 1 1.215 0.1625 0.79 ; N (RNH3+)
................................................
Yours sincerely,
Chaofu Wu



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