This can't be ignored. You loaded GTP parameters, but you have something
called GSP in your coordinates file that does not match any residue name in
the force field. You need to find out what GSP is and either name it
properly to match the residue name in the parameter file, or load GSP
parameters.
On Mar 3, 2018 5:43 AM, "Rana Rehan Khalid" <rrkhalid.umich.edu> wrote:
Dear amber users
I loaded the GTP.prep and frcmod.phos in tleap, but when I load pdb file
these error messages showed. Kindly guide How i can resolve it. Thanks
Unknown residue: GSP number: 395 type: Nonterminal
Creating new UNIT for residue: GSP sequence: 396
Created a new atom named: N9 within residue: .R<GSP 396>
Created a new atom named: C8 within residue: .R<GSP 396>
Created a new atom named: N7 within residue: .R<GSP 396>
Created a new atom named: C5 within residue: .R<GSP 396>
Created a new atom named: C6 within residue: .R<GSP 396>
Created a new atom named: O6 within residue: .R<GSP 396>
Created a new atom named: N1 within residue: .R<GSP 396>
;
;
total atoms in file: 6170
Leap added 6 missing atoms according to residue templates:
6 H / lone pairs
The file contained 44 atoms not in residue templates
regards
khalid
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Mar 03 2018 - 04:30:02 PST
