[gmx-users] Encountered with error after executing the command "gmx solvate"

Seera Suryanarayana palusoori at gmail.com
Wed Jan 13 13:14:54 CET 2016


Dear gromacs users,

I have been trying to simulate the xtal structure which is homo tetramer
and each chain has more than 400 amino acids. after editconf where I have
used the cubic box with -c -d 1.0. After this command I have executed the
following command..

gmx solvate -cp 4pv1.gro -cs spc216.gro -o 4cp1_solv.gro -p topal.top

and I got the error as ..

Fatal error:
One of the box vectors has become shorter than twice the cut-off length or
box_yy-|box_zy| or box_zz has become smaller than the cut-off.

When I checked the gromacs archive somewhere mentioned that violating
minimum image convention. I don't understand what does it mean. Kindly tell
me why this error is encountered and how do I resolve it?

Thanks in advance
Surya
Graduate student
India.


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