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

RAHUL SURESH drrahulsuresh at gmail.com
Mon Nov 27 13:17:41 CET 2017

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.

I couldnt diagonise the error exactly. Any help on this will be of great

Thank you

*Rahul Suresh*
*Research Scholar*
*Bharathiar University*

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