[gmx-users] gromacs 4.6.4 version - nvt equilibration error

[MUSYOKA THOMMAS]

Hi Vsharma
Try this mdrun -v -deffnm nvt
cheers


On Tue, Nov 19, 2013 at 3:42 PM, <vsharma at imtech.res.in> wrote:

>
>
> hell all ..
>
> i am trying to simulate 414 aa long protein
>
> i am getting following error on giving command for NVT equilibrations:
> COMMAND : MDRUN -DEFFNM NVT -V
>
> ERROR:
> File input/output error:
> Cannot write trajectory frame; maybe you are out of disk space?
>
> i have gromacs 4.6.4 version, 12.04 ubuntu, 7.9GiB memory and 976 GB
> Disk space, i am simulating 414aa long protein for 10ns.
>
> i have confirmed working status for my parameter files as with gromacs
> 4.5.5, dynamics are working properly.
>
> i doubt, if there are some issues with gromacs 4.6.4 version
>
> any help
>
> --
> VANDNA
> JRF
> C/O Dr. Girish Sahni
> Protein Science lab
> Phone No. 0172-2690830
> Institurte of Microbial Technology (IMTech)
> Sector -39A, Chandigarh,160036
>
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