On Wed, Mar 28, 2007, Kyle L. Brown wrote:
>
> On page 109 of the amber 9 manual, it says the default value
> for the exponential decay constant is 1.0D+6. What does the "D" mean?
"D" refers to a double precision floating point variable (in Fortran). This
is the same as 10**6 (one million), which is effectively infinite.
> want a decay constant on the order of pico seconds. My input file is as
> follows where DISAVE value1 is 20e-12 for my time constant:
Input times in Amber are already in picoseconds, so you don't want to add
the additional 10*(-12) factor.
....hope this helps...dac
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Received on Sun Apr 01 2007 - 06:07:42 PDT
