[gmx-users] grompp_d and mdrun_d in gromacs 5.1.2

Mark Abraham mark.j.abraham at gmail.com
Sat May 21 00:07:10 CEST 2016


Yes you can compile a double precision version, but no there are no more
automatic symlinks in 5.1.

Mark

On Fri, 20 May 2016 18:13 <jkrieger at mrc-lmb.cam.ac.uk> wrote:

> 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.
> >
>
>
> --
> 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