pair_style lj/charmm/coul/long problems

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1

I have compiled the 17Nov2016 version of LAMMPS, and compiled it on a MacBook Pro with "make yes-molecule" and then "make serial". I have an nachr-uS5chol2ach.in file generated from the charmm2lammps.pl script, and one of the lines reads:

   pair_style lj/charmm/coul/long 8.0 10.0

lmp_serial does not like this line, and flags it out as an error:

   $ lmp_serial < nachr-uS5chol2ach.in
   LAMMPS (17 Nov 2016)
   ERROR: Unknown pair style (../force.cpp:240)

However, I check the relevant manual pages on:

   http://lammps.sandia.gov/doc/pair_charmm.html

and it conforms to LAMMPS standard. Could I ask what I have done wrong, please?

Thank you very much.

P-L Chau

2

That pair style is in the KSPACE package,

as it is designed to be used with a long-range

solver.

Steve

3

Have you tried it compiling with make yes-kspace?

From pair_charmm documentation, in restrictions section it says:

"the lj/charmm/coul/long style is part of the KSPACE package."