Custom Search
-- Kristina Furse Postdoctoral Research Associate 262 Stepan Chemistry Hall Notre Dame, IN 46556 (574)631-3904 ________________________________________ From: amber-bounces.ambermd.org [amber-bounces.ambermd.org] On Behalf Of Dan Kaps [dan.kaps.yahoo.com] Sent: Monday, April 13, 2009 10:23 AM To: amber.ambermd.org Subject: [AMBER] atom types in pdb files Hello All, I'm having trouble saving saving .prmtop and .inpcrd files in tleap after loading a .pdb file. I use the command MOL = loadpdb myfile.pdb however, when I do check MOL i get the error message: "FATAL: Atom .R<UNK 1>.A<C1 1> does not have a type. " for every atom in my .pdb file. (I also get the same error message after loading all the necessary .prepin and .frcmod files and attempting to save the .prmtop and .inpcrd files) Does anyone know what I have to do to fix this issue? There ARE two residues in this .pdb file and I have never had this problem when using a pdb with just one residue so that might have something to do with it. (I don't know much about .pdb files, my group is a bunch of physicists using amber for something other than what was intended\). Thanks, Dan _______________________________________________ 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/amberReceived on Wed Apr 15 2009 - 01:10:04 PDT