rmse4mol: rmse4mol

In conmolfields: Continuous molecular fields

Description

rmse4mol

Usage

rmse4mol(mol1, mol2)

Arguments

mol1
mol2

Examples

##---- Should be DIRECTLY executable !! ----
##-- ==>  Define data, use random,
##--	or do  help(data=index)  for the standard data sets.

## The function is currently defined as
function (mol1, mol2) 
{
    xyz1 <- mol2xyz(mol1)
    xyz2 <- mol2xyz(mol2)
    rmse4xyz(xyz1, xyz2)
  }

conmolfields documentation built on May 2, 2019, 4:18 p.m.