AMBER Archive (2008)

Subject: AMBER: amber9 , ptraj vector commad issue

From: Vijay Singh (vijayratan.singh_at_gmail.com)
Date: Sat May 31 2008 - 18:34:23 CDT

Hi,

   I am trying to obtain the vector information in amber9 , but i get a "
Segmentation fault ". My ptraj input file is -

trajin mdout800_8.mdcrd
vector v0 :57_at_CA corr :57_at_N out cys_cn.dat

and the output file...i.e. cys_cn.dat is empty!

I looked up the amber archive for similar messages....but it does not
provide a substantial solution to the problem...if the 'corr' in the ptraj
input file is removed I get some output...also if I do not output it to a
file there is no Segmentation fault....but then I don't have a handle on the
vector either?

The reason I am looking to obtain this vector information is to be able to
define a body centered frame and use it in conjunction with the space
centred refrence frame to do some analysis with a polymer theory and its
modelling.

Thanks for any and every help...

Vijay

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