sgrigna at gmail.com
Mon May 9 15:56:00 CEST 2016
I'm trying to use the gromacs version of QM/MM with DFTB3
made available here
by the group of Tomas Kubar.
I was able to compile the code, however when I try to run the qm/mm
tutorial files I get this error:
Too many PME neighbors found for QM atom 1
Until now I was unable to understand the reasons of this error.
Can anybody help me?
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