Hi,
I read AMBER tutorial but I am not getting the exact procedure how to run MD
in vacuum. Is there necessity to involved all the steps that we suppose to
involved in normal MD run like heat.in, dens.in, equ.in
I did the same thing as that of the normal MD run but without solvating the
complex. During density it is showing the error box not found (peek ewald
inpcrd:Box info not found in inpcrd).
Can anyone suggest me the steps and what to do exactly.
Thank in advance
------------------------------------------------------
Gaurao Dhoke
M.S. (Pharm.) Pharmacoinformatics
PhD. Student
Department of Biotechnology
RWTH Aachen University
Worringerweg 1
52074 Aachen
Germany
Phone: +49-241-80-26628
E-mail: <mailto:g.dhoke.biotec.rwth-aachen.de>
g.dhoke.biotec.rwth-aachen.de
Homepage: <http://www.biotec.rwth-aachen.de> www.biotec.rwth-aachen.de
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Received on Wed Apr 03 2013 - 02:00:03 PDT
