[gmx-users] (no subject)

shakuntala dhurua madhu.dhurua94 at gmail.com
Mon Dec 9 11:02:53 CET 2019


Ok i will try, thank you so much

On Mon, 9 Dec 2019, 1:07 pm Tasneem Kausar, <tasneemkausar12 at gmail.com>
wrote:

> This problem also occurs in gromacs-5.1.4. Try higher version. We have done
> these calculations on gromacs-2016.
>
> On Mon, Dec 9, 2019 at 10:49 AM shakuntala dhurua <
> madhu.dhurua94 at gmail.com>
> wrote:
>
> > here I am using gromacs version --- gromacs-5.1.5
> >
> > On Mon, Dec 9, 2019 at 10:43 AM Tasneem Kausar <
> tasneemkausar12 at gmail.com>
> > wrote:
> >
> > > Please specify your gromacs version.
> > >
> > > On Mon, Dec 9, 2019 at 10:04 AM shakuntala dhurua <
> > > madhu.dhurua94 at gmail.com>
> > > wrote:
> > >
> > > > hi
> > > > I am facing problem during hydrogen bond correlation c(t) with error
> > > > segmentation fault
> > > > I have used following flag for generate xtc file::- gmx trjconv -n
> > > > index.ndx -s ins_prod_1.tpr -f ins_prod_1.trr -o ins_prod_1.xtc -pbc
> > > > cluster
> > > > then for hydrogen bond correlation used following flag ::-gmx hbond
> -n
> > > > index.ndx -s ins_prod_1.tpr -f ins_prod_1.xtc -ac ins_prod_1.xvg
> > > > following error I am getting
> > > > Doing autocorrelation according to the theory of Luzar and Chandler.
> > > > Segmentation fault (core dumped)
> > > > please suggest me to solve this problem
> > > > --
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