AMBER Archive (2007)

Subject: AMBER: supplement ptraj:problems with time correlation calculation (comp. with NMR experiments)

From: anna.schrey_at_gmx.de
Date: Sun Apr 08 2007 - 09:15:22 CDT

Dear AMBER community,

I forgot -when I try to calculate a corr vector for :x_at_CA and :x_at_HA, ptraj crashes with a segmentation fault. I found the problem also in the mailing archive, but no answer for it. By the way, the calculation of a dipole vector worked for my trajectory, but I guess it is useless for my problem...

Best regards,

Anna 

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