[gmx-users] genbox Not enough memory
Juliette N.
joojoojooon at gmail.com
Wed Oct 10 18:08:41 CEST 2012
Hi everyone,
I am trying to build a polymer in solvent system by solvating my fully
extended polymer chains in a box of size 250 250 250 A. I am adding
4500 solvent molecules as below
genbox -cp Solute.gro -ci solvent.gro -o solvated.gro -nmol 4500
Adding solvents is a slow process and takes much time and at the end I get:
Program genbox, VERSION 4.5.4
Source code file: smalloc.c, line: 214
Fatal error:
Not enough memory. Failed to realloc 1338273212 bytes for grid->nra,
grid->nra=0x0
(called from file nsgrid.c, line 483)
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
Is this happening because of the huge amount of free space to be
filled with the solvent? Please help me.
--
Thanks,
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