[gmx-users] Not enough memory. Failed to realloc
jalemkul at vt.edu
Mon Nov 27 14:37:30 CET 2017
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
> 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 A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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