[AMBER] difference in ptraj for ambertools-12 and 15

From: Thakur, Abhishek <axt651.miami.edu>
Date: Tue, 28 Jun 2016 20:54:54 +0000

Hi
I was running cluster analysis by using Ambertools 15 (ptraj) and I have got results like
testcluster.c9
testcluster.c9.1.1
testcluster.c9.10

But for the same trajectory file, same script I had some past results with ambertools12 and I can find results to be just
testcluster.c9
testcluster.c8

there is no prefix number cluster output file.
Can anyone explain me why it is happening? Is there anything wrong?

The script that I used for 12 and 15 is

trajin ILE71_NH2_aMD_0_300ns.crd.gz
cluster out testcluster representative pdb averagelinkage clusters 10 rms .CA sieve 10

I am confused which result to trust.

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Received on Tue Jun 28 2016 - 14:00:02 PDT
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