Hello amber members,
Am trying to use Tleap to load and rotate a molecule around the point 0,0,0.
I am using the matrix newtransform command as below (with necessary sourcing
of leaprc and forcefields that i have omitted in this email):
a = loadpdb X.pdb
b = loadpdb Y.pdb
matrix newtransform b (0.0, 0.0, 0.0, 0.0, 10.0, 0.0)
c = combine {a,b}
#solvatebox c SPCBOX 12.0
savepdb c Z.pdb
saveamberparm c Z.prmtop Z.inpcrd
quit
However, i get this error:
ERROR: syntax error
I would appreciate any input.
Sincerely
Silver
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Received on Tue Mar 03 2015 - 12:30:02 PST
