Dear AMBER Community,
I am trying to calculate some auto and cross time correlation
functions but have run into a snag. I am trying to use the following
script to compute both auto and cross time correlations:
#!/bin/csh
ptraj prot.prm << EOF
trajin full_md_pres.crd
trajin run.crd
trajin run2.crd
trajin run3.crd
reference prot.crd
strip :WAT
strip .H
strip .Na+
rms reference
vector a1 :187 corr :233
vector a2 :188 corr :232
analyze timecorr vec1 a1 out a1.out
analyze timecorr vec1 a2 out a2.out
analyze timecorr vec1 a1 vec2 a2 out a1_a2.out
EOF
However, the only output I am getting is the a1_a2.out file. What am I
doing wrong?
Thanks,
Terry
--
P. Therese Lang
Post Doc
Alber Lab, UC Berkeley
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Mar 11 2007 - 06:07:31 PDT
