AMBER Archive (2005)

Subject: Re: AMBER: Time Correlation Functions with Amber

From: John S. Zintsmaster (jzintsma_at_nd.edu)
Date: Tue Nov 08 2005 - 13:56:54 CST

The other weird thing(at least to me) was that when the ptraj.in just had the
line:

vector v0 @14 corr @15 out v0.out

at the end and did not include the "analyze timecorr..." portion, ptraj would
run through all the frames of the trajectory file and then when it went to dump
into v0.out it would seg. fault. Is there anything that should be further
included in the declaration of the vector v0 or is this an expected error if
you just try to dump the vector coordinates?

thanks!

John Zintsmaster

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