[gmx-users] gromacs 2016.3 solvate error for methanol water mixture

[Hermann, Johannes]

Dear gromacs-users,

I generated and equilibrated a box (4 x 4 x 4 nm) containing a mixture 
of water and methanol. With this I wanted to solvate my protein:

gmx solvate -cp protein.gro -cs wat-methanol.gro -o prot_solv.gro -p 
topol.top

However, this results in an error starting with:

*** Error in `gmx_mpi': free(): invalid pointer: 0x000000000364d1c0 ***

Has anyone experienced this before? Has anyone a suggestion what might 
have gone wrong?

Thank you very much in advance.

All the best
Johannes

______________________________________
*Technische Universität München*
*Johannes Hermann, M.Sc.*
Lehrstuhl für Bioverfahrenstechnik
Boltzmannstr. 15
D-85748 Garching
Tel: +49 8928915730
Fax: +49 8928915714

Email: j.hermann at lrz.tum.de
http://www.biovt.mw.tum.de/