[gmx-users] Not enough memory. Failed to realloc

[RAHUL SURESH]

Hi



*gmx editconf -f cu.gro -o cuNew.gro -bt cubic -d 1.0 -c*
I have used the above command to generate the box. Infact I have used this
command before and I never got any error.

Thank you

On Mon, Nov 27, 2017 at 7:07 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 11/27/17 7:17 AM, RAHUL SURESH wrote:
>
>> Dear Users
>>
>> I am trying to carryout protein-metal interaction using charmm36 ff.
>> During
>> solvation *"gmx solvate -cp cuNew.gro -cs spc216.gro -p cu.top -o
>> solv.gro"
>> *i receive a error stating
>>
>>
>>
>>
>>
>>
>>
>>
>> *"Fatal error:Not enough memory. Failed to realloc 3094482528 bytes for
>> atoms_->atom,atoms_->atom=0(called from
>> file/home/viji/Downloads/Gromacs/gromacs-2016.4/src/gromacs/
>> topology/atomsbuilder.cpp,line
>> 86)". *
>> I have enough space to carry out this simulation and I am using 2016
>> version of gromacs.
>>
>
> How large is your box? Are you sure you have set its size in nm, not A?
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Assistant Professor
> Virginia Tech Department of Biochemistry
>
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> 340 West Campus Dr.
> Blacksburg, VA 24061
>
> jalemkul at vt.edu | (540) 231-3129
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>
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-- 
*Regards,*
*Rahul Suresh*
*Research Scholar*
*Bharathiar University*
*Coimbatore*