ABF inFiles

From: Subramanian Vaitheeswaran (vaithee_at_umd.edu)
Date: Thu Jun 21 2007 - 11:03:47 CDT

I have a question about combining the ABF output from multiple data sets using the inFiles entry in the configuration file.

SET2 reads restart files from SET1 and ABF section of the configuration file I have the following entry:
abf inFiles {../SET1/abf.pmf}
So, SET2 will include data from SET1 in calculating the PMF.

SET3 then reads restart files from SET2. To combine the data from all three sets, should the configuration file read:
(1) abf inFiles {../SET2/abf.pmf} or,
(2) abf inFiles {../SET1/abf.pmf ../SET2/abf.pmf} ?

I thought SET2/abf.pmf would include data from SET1, so it should be (1), but looking at the number of samples in each bin, I am not sure any more.

Any help is much appreciated.


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