[gmx-users] Hello Regarding Lincs error

[RINU KHATTRI]

hello
i am also facing the same problem i worked on the protein complex
(popc ) but once again i am using same procedure its gives error even
i changed .mdp file parameters
after running it gives 61%
mdrun

grompp -f npt.mdp -c nvt.gro -t nvt.cpt -p topol.top -n index.ndx -o npt.tpr

 mdrun -nt 4 -deffnm npt
kindly help

On Thu, Sep 18, 2014 at 2:23 PM, Ujwala Patil <ujwalanpatil at gmail.com> wrote:
> Hello I am doing simulation of   dioxane+ water system
> during energy minimization i got error
> Too many LINCS warnings (1337)
> If you know what you are doing you can adjust the lincs warning threshold
> in your mdp file
> or set the environment variable GMX_MAXCONSTRWARN to -1,
> but normally it is better to fix the problem
>
> my em.mdp file is
>
> integrator  = steep      ;
> emtol       = 500.0
> emstep      = 0.01
> nsteps      = 500
>
> nstlist     = 1.4
> ns_type     = grid
> rlist       = 1.0
> coulombtype = PME
> rcoulomb    = 1.0
> rvdw        = 1.4
> constraints = none
> pbc         = xyz
>
>
> i have  seen some  similar type of error
>
> but not able to fix
>
> please help me to solve the problem
> --
> 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.