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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Received on Mon Nov 15 2004 - 02:53:01 PST
