fespoint {metadynminer} | R Documentation |
‘fespoint' calculates free energy at given point in the CV space ’coord'. Hills are summed from 'imin' to 'imax'. Printed output can be suppressed by setting 'verb' to TRUE.
fespoint(hills, coord, imin, imax, verb)
hills |
hillsfile object. |
coord |
coordinates of the point in the CV space. |
imin |
index of a hill from which calculation of difference starts (default 1). |
imax |
index of a hill from which summation stops (default the rest of hills). |
verb |
if TRUE, the output is verbose (default TRUE). |