[gmx-users] grompp_d and mdrun_d in gromacs 5.1.2

jkrieger at mrc-lmb.cam.ac.uk jkrieger at mrc-lmb.cam.ac.uk
Fri May 20 18:13:16 CEST 2016


Hi Emma,

You should be able to compile gromacs 5.1.2 with double precision and then
use gmx_d grompp and gmx_d mdrun. I think the symbolic link should include
the _d so the grompp_d and mdrun_d commands should still work too.

Best wishes
James

> Hi,
> i wonder if there is a command for running with double precision in
> VERSION 5.1.2, like grompp_d in VERSION 4.6.5?
>
> Best regards,
> Emma
> -----------------------------------------------------------
> Emma Ahlstrand
> PhD student
>
> Linnaeus University
> Faculty of Health and Life Sciences
> 391 82 Kalmar / 351 95 Växjö
> Sweden
>
> +46 772 28 80 00 Telephone exchange
> +46 480 44 61 52 Direct
> +46 739 05 71 86 Mobile
> emma.ahlstrand at lnu.se
> http://lnu.se/ccbg
> Lnu.se
>
> Challenging educations. Prominent research. Linnaeus University – a
> modern, international university in Småland, Sweden.
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send
> a mail to gmx-users-request at gromacs.org.
>




More information about the gromacs.org_gmx-users mailing list