[AMBER] matrix newtransform command

From: Sylvester Tumusiime <stumusii.uno.edu>
Date: Tue, 3 Mar 2015 20:03:24 +0000

   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


   However, i get this error:

   ERROR: syntax error

   I would appreciate any input.


AMBER mailing list
Received on Tue Mar 03 2015 - 12:30:02 PST
Custom Search