[gmx-users] Explicit Hydrogen LJ param

Marcelo Depólo marcelodepolo at gmail.com
Mon Jun 15 17:57:46 CEST 2015


Hi all!

It might be a silly question, but I am wondering why explicit hydrogens do
not have LJ parameters in Gromos forcefields (they are set 0), while HC
hydrogens (aromatic) has some value:

;name at.num mass    charge ptype       c6           c12
   HC    1      0.000      0.000     A   8.464e-05  1.5129e-08
     H    1      0.000      0.000     A           0           0

Best regards,
-- 
Marcelo Depólo Polêto
Group of Structural Bioinformatics - Center of Biotechnology
Student of MSc Cell and Molecular Biology - UFRGS (Brazil)
B.Sc. Biochemistry - University of Viçosa (Brazil)


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