AMBER Archive (2007)

Subject: AMBER: ptraj bug?

From: Tamara Rogers (talmesha_r_at_yahoo.com)
Date: Wed Apr 18 2007 - 17:09:39 CDT


Dear all,
I'm attempting to do a correlation between two vectors. These vectors are defined as the least squares plane through certain atoms. For this purpose, I use the corrplane option in the vector action. All goes well when I do the time correlation with these vectors, however if I attempt to print the components of the vector obtained by the corrplane command, I get a segmentation fault.
I've search the archives and found that people have had similar problems. Does anyone have a possible solution?

Best,
Tamara

This works

vector v1 :1-2 corrplane order 2
vector v2 :3-4 corrplane order 2
analyze timecorr vec1 v1 vec2 v2 tstep 1.0 tcorr 100.0 out v1v2.out

However this fails with a segmentation fault

vector v1 :1-2 corrplane order 2 out v1.out
vector v2 :3-4 corrplane order 2 out v2.out
analyze timecorr vec1 v1 vec2 v2 tstep 1.0 tcorr 100.0 out v1v2.out

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