Dear Amber Users,
I am new in AMBER. For a test run I wanted to simulate
unit "CHCL3BOX" given in residue template. But when I am going to create
prmtop and inpcrd file in xleap, error messages are coming like "....could
not find atom type CL". I simulated TIP3PBOX and MEOHBOX. Then everything
was fine. But in case of CHCL3BOX error is coming. I have checked
leaprc.ff99SB file. There, atom type specification for chlorine is present.
So, what wrong have i done? Please help.
sanjib
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Received on Fri Jun 29 2012 - 07:30:02 PDT
