statistical error of mean force in (NAMD) ABF calculations

From: Branko (bdrakuli_at_chem.bg.ac.rs)
Date: Wed Jul 01 2015 - 05:09:48 CDT

Dear ABF developers,

In J. Phys. Chem. B 2015, 119, 1129 it is described how statistical
error of mean force in ABF could be calculated. Using two colvars make
the whole calculation something more complicated. Just as an idea, maybe
some script could be included in future releases which can be used to
calculate statistical error of mean force; probably from the ABF output
files (.grad and .count)

Branko

This archive was generated by hypermail 2.1.6 : Tue Dec 27 2016 - 23:21:12 CST