On 10/9/12 12:21 PM, Ali Alizadeh wrote:
Dear All users
How to convert my single precision version of gromacs to double precision?
Is it possible?
You don't; you re-install Gromacs with the desired precision. Note that single-
and double-precision installations can exist side-by-side with proper suffixes
(default _d) on the executables and libraries.
Can i do it by apt get command in ubuntu version?
It looks to me like the only version available is single-precision but perhaps
someone else who uses them regularly can tell. I do all my installations from
source.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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