Hello
A moltemplate user has emailed me because they are running into
trouble using "read_restart" in one of the examples. Apparently
"read_restart" appears to fail when the user is using "hybrid" force
field styles. Something has changed in the last 6 weeks. This is new
behaviour.
I am attaching two small examples: "working.tar.gz" and
"not_working.tar.gz". Both contain 8 water molecules. If you unpack
the "not_working" example, you can reproduce the error using:
lmp_linux -i run.in.min # this creates a restart file
lmp_linux -i run.in.npt # this reads the restart file
This generates
ERROR: KSpace style is incompatible with Pair style (kspace.cpp:147)
(I am using the December 3rd version of LAMMPS.)
If you unpack the "working" example, you can run the same commands
without error. The difference between working and not_working is the
use of "hybrid" force-field styles.
Thank you in advance for looking into this.
Andrew
not_working.tar.gz (1.19 KB)
working.tar.gz (1.14 KB)