Hi all,
I am trying to built some structure to run using the amoeba force field in
amber. The problem is that I am not even able to generate these parameters
or load the library.
I start the ambertools and try to source the leaprc.amoeba but the program
just keeps hanging - 10 minutes and nothing happens. I start the program
using the following command:
amber12/bin/tleap -s
-I: Adding amber12/dat/leap/prep to search path.
-I: Adding amber12/dat/leap/lib to search path.
-I: Adding amber12/dat/leap/parm to search path.
-I: Adding amber12/dat/leap/cmd to search path.
-s: Ignoring startup file: leaprc
Welcome to LEaP!
> source amber12/dat/leap/cmd/leaprc.amoeba
----- Source: amber12/dat/leap/cmd/leaprc.amoeba
----- Source of amber12/dat/leap/cmd/leaprc.amoeba done
can't parse echo
usage: set <container> <parameter> <object>
or: set default <parameter> <value>
Loading library: amber12/dat/leap/lib/amoeba_amino.off
I am able to load other libraries and it works fine - am I missing
something or does it take more than 10 minutes to to load the library.
Thanks
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Received on Thu Jul 03 2014 - 12:00:02 PDT
