Hello to everyone,
I would like to use Amber patched with plumed for some umbrella sampling.
On the cluster on which I am running (m100 of cineca) there should be
installed amber2020 patched with plumed2.8.0.
However, I can t find which is the command to include the plumed.dat file
in the running, if I run
pmemd.cuda -O -i NVT.in -o umbrella.out -p topology.prmtop -c
previous.restart -r next.restart -x umbrella.nc -inf umbrella.info -plumed
plumed.dat
I get the error
unknown flag: -plumed
Also, on the amber or plumed manuals I can't find info or examples on how
to do this.
Hope someone can help,
Giulia
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Aug 04 2022 - 13:34:44 PDT
