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

-- 
"Feel free" - 10 GB Mailbox, 100 FreeSMS/Monat ...
Jetzt GMX TopMail testen: http://www.gmx.net/de/go/topmail
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu