[gmx-users] (no subject)
shakuntala dhurua
madhu.dhurua94 at gmail.com
Mon Dec 9 06:18:31 CET 2019
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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