Hi,
below are my output error message and input information. ... Any idea?
thanks.
Ying-chieh
-------
command line:
parmed.py -p p82-82Awatbox2-a.prmtop -i s4_5-parmed-vdw-c.in
input file:
::::::::::::::
s4_5-parmed-vdw-c.in
::::::::::::::
setOverwrite True
addLJType .89 0.0 0.0
outparm p82-82Awatbox2-b.prmtop
quit
output with error message:
Loaded Amber topology file p82-82Awatbox2-a.prmtop
['s4_5-parmed-vdw-c.in']
Reading actions from s4_5-parmed-vdw-c.in
Files are overwritable
Action addLJType failed
UnhandledArgumentWarning: 0.0 0.0
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Received on Mon Nov 03 2014 - 08:30:02 PST
