[gmx-users] LJ parameters

Valentin Gogonea v.gogonea at csuohio.edu
Fri May 24 00:02:00 CEST 2002


Dear Gromacs users,

There are LJ c6 and c12 parameters both in [atomtypes] and 
[nonbond_params] sections of ffgmxnb.itp file. Which of them are used 
and under what circumstances? Is this described somewhere in the manual?

Thank you.

Valentin




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