Peggy Yao wrote:
Dear all,
In the manual, almost all commands have 2 versions: command and
command_d. For example, pdb2gmx, and pdb2gmx_d. What is the difference?
I searched in both the manual and the internet, but was not able to find
the answer.
You can check by using both the single- and double-precision versions and doing
a diff on the output files (.top and .gro). Coordinates may be written in
double-precision, but you'd easily be able to see that from the .gro file.
-Justin
Thanks!
Peggy
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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