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

[Justin Lemkul]

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

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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

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