Dear amber users
I am trying to create my prmtop and inpcrd file from tleap of amber12 for
that i have created leaprc file
*source leaprc.ff96xyz = loadpdb mutpro.pdbset default PBradii
mbondi2saveamberparm xyz pro.prmtop pro.prmcrdquit*
and then run that file from the command
*/home/drpunit/amber12/bin/tleap*
and then got following error
Creating new UNIT for residue: ILE sequence: 165
Created a new atom named: N within residue: .R<ILE 165>
Created a new atom named: CA within residue: .R<ILE 165>
Created a new atom named: C within residue: .R<ILE 165>
Created a new atom named: O within residue: .R<ILE 165>
Created a new atom named: CB within residue: .R<ILE 165>
Created a new atom named: CG1 within residue: .R<ILE 165>
Created a new atom named: CG2 within residue: .R<ILE 165>
Created a new atom named: CD1 within residue: .R<ILE 165>
Creating new UNIT for residue: ALA sequence: 166
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Creating new UNIT for residue: GLY sequence: 221
Created a new atom named: N within residue: .R<GLY 221>
Created a new atom named: CA within residue: .R<GLY 221>
Created a new atom named: C within residue: .R<GLY 221>
Created a new atom named: O within residue: .R<GLY 221>
Created a new atom named: OXT within residue: .R<GLY 221>
total atoms in file: 1536
The file contained 1536 atoms not in residue templates
*Using H(N)-modified Bondi radiisaveAmberParm: There are no parameter sets
loaded Quit*
Why iam getting these error ...need ur help
thanks
regards
Roopali
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Received on Mon Dec 08 2014 - 03:30:06 PST
