merging abf trajectories with different number of colvars

From: Olya Kravchenko (ovkrav_at_gmail.com)
Date: Thu May 31 2018 - 11:13:50 CDT

Hi all,

I am trying to merge data from ABF runs, I have several trajectories with
distance colvar only and several with distance+distanceXY. I am getting the
following error:

colvars: Reading sample count from abf2.count and gradient from abf2.grad
colvars: Warning: reading from different grid definition (colvar 1);
remapping data$
colvars: Warning: reading from different grid definition (colvar 1);
remapping data$
colvars: Reading sample count from abf3.count and gradient from abf3.grad
colvars: Error reading grid: wrong number of collective variables.
FATAL ERROR: Error in the collective variables module: exiting.

What is the best way to put PMF curve together in such case? Should I just
extract the data columns that I need or is there a modification to make in
merge input files that would account for different number of colvars?

Thanks in advance!

olga

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