AMBER Archive (2004)

Subject: AMBER: nmode:Number of atoms in -p and -c files do not agree!

From: myang_at_vitamin.uni.cc
Date: Sun Nov 14 2004 - 20:20:25 CST

Even after I applied the bugfix.48 for nmode module in AMBER7, it still
complains that "Number of atoms in -p and -c files do not agree". Is I
am doing something wrong? My input file for nmode is:

---------
&cntrl
&data
    ntrun=1,
    cut=99,
    drms=0.0001,
    dielc=1.0,
    idiel=0,
    ntx=0,
    scee=1.2,
&end
----------

Before carrying out the nmode analysis, I already minimized the
RMS of the structure to 9.8371E-05. And increase the memeory requirement
to be enough. BTW: If I want to output all the eigenvectors, should I
change the MAXVEC parameter in sizes2.h to 3*N(the number of atoms) ?

Thanks in advance!

Best,
Mingfeng Yang 

-- 
Life sucks, but we can change it.
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