[gmx-users] Using double precision files with single precision version

Mark Abraham 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.


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