AMBER Archive (2000)

Subject: adding atom types in leap

From: hermone_at_pegasus.arc.nasa.gov
Date: Fri Jul 07 2000 - 12:40:33 CDT

I'm having trouble adding new atom types in leap. I added the new atom type
to the parameter file I'm using and used "addAtomTypes" but it still won't
work.
This is what I do in leap:
parmt = loadamberparams /scr1/hermone/amber5/dat/parm5.dat
  addAtomTypes {
         { "HL" "H" "sp3" }
}
lap hl5.in
sap HL5 HL5.top HL5.crd
quit
Then I get this error message:

For atom: .R<HL5 1>.A<H1 4> Could not find type: HL
For atom: .R<HL5 1>.A<H2 5> Could not find type: HL
Any help would be appreciated.
Ann