[AMBER] how to use Amber patched with Plumed

From: Giulia Sormani via AMBER <amber.ambermd.org>
Date: Tue, 19 Jul 2022 11:34:58 +0200

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

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,


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Received on Thu Aug 04 2022 - 13:34:44 PDT
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