1-4 interaction in gromacs

宋永顺 2018-11-18 21:15

about 1-4 interactions two implement methods: 1. a list of in ffnonbond.itp, gen_pair=no , only useful for force field like Gromos. 2. For OPLS and Amber, 1-4 interactions are scaled by a factor, so theirs is no in ffnonbond.itp, and gen_pair=yes . It should be noted that the coulomb ...

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