[gmx-users] single precision to double precision version
jalemkul at vt.edu
Tue Oct 9 20:07:00 CEST 2012
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
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
More information about the gromacs.org_gmx-users