(unknown charset) [AMBER] questions about the input file of MD process
Dear AMBER Mailing List,
Today i come across a problem that which input file is correct or both are OK.
In some input files that amber tutorial provided, it is written as this:
ntb=2, ntp=1, pres0=1.0
while some in files neglect the pres0 and tempi parameters.
my question is do we really need two parameters to carry out the equilibrium simulation.
And since some tutorials suggest a section of density, my another question is do we need this section?
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Received on Sun Mar 13 2011 - 01:00:02 PST