[gmx-users] Using double precision files with single precision version
Mark.Abraham at anu.edu.au
Wed Nov 26 10:14:28 CET 2008
vivek sharma wrote:
> Hi All,
> I had a few MD runs with double precision in gromacs, Can I use single
> precision version of gromacs to play with those files e.g making movie
> files and extracting h_bond information.
> I am afraid if it will affect my results.
I don't know whether it does work, but I suspect not. However it's
trivial to compile a double-precision version, with --enable-double and
--program-suffix=_d, and once installed you can use g_hbond when you
want and g_hbond_d when you want.
More information about the gromacs.org_gmx-users