Hi all,
I am trying to perform a QM/MM computation and I would like to use
AM1-D* and PM6-D as my qm method. I have the following atoms in my
qm-region as they are involved in the chemistry I would like to investigate:
P,S,C,N,H,O,Zn
the problem is that it seems that I am missing some file to run this:
SANDER BOMB in subroutine get_c6_req (dh_correction_module)
Parameters for dispersion correction are not available for this atom.
Bye bye.
I am using amber 12.
ANy suggestions on how to add these files or fix it.
Thanks
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Received on Wed Apr 29 2015 - 00:30:03 PDT
