Gromacs96 topology

[Alejandro Ramos]

Hello CP2K community,

I'm trying to do a MM geometry optimization of a system composed by 26 
Tetrahydrofuran molecules (THF). The topology and coordinate files I'm 
using are in G96 format. When I try to do the geometry optimization with 
only one THF molecule the program works well (see WORKS_thf_p_geo_opt.tar.gz). 
However, when I do the same geometry optimization with all 26 THF molecules 
it doesn't work (see DOESNT_WORK_thf_p_geo_opt.tar.gz) and I don't know 
why. I don't know if there is some missing setting in the topology file or 
in the cp2k input file. Could anyone help me, please? 

Thanks in advance,

Alejandro Ramos.
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