AMBER Archive (2005)

Subject: AMBER: lmanal input file problem

From: Phineus Markwick (markwick_at_embl-heidelberg.de)
Date: Fri Mar 18 2005 - 10:00:18 CST

Dear AMBER users,

For a relatively large protein, I have used nmode to first do a Newton
Rapherson
energy minimisation. Using the optimised coordinate file, I have also
calculated
normal modes and langevin modes. Using the langevin mode analysis
output file (lmode)
and the same input coordinate file, I am now trying to calculate
orientational correlation
functions using lmanal (ntrun=2). I get the error message:

fmt: end of file
apparent state: unit 54 named fort.54
last format: (20A4)
lately reading sequential formatted external IO
Abort

My input file is:

#Get N-H order parmeters test
&data
ntrun=2,
kup=74,
lup=75,
nvect=20,
tf=10,
np=100,
&end

I am using AMBER 7. Have I done something wrong?

with best regards,
Phineus Markwick.

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