I am a new-to-Amber user and after completing the tutorials, am attempting to work with some molecules pertaining to my research. In loading and attempting to save .inpcrd and .prmtop files using xLeap (with force field 99, leaprc.ff99) I am recieving "FATAL" error messages, saying that some of my atoms don't have atom types. The molecules I am using are directly from the Protein Data Bank with no modifications. Has anyone else confronted this problem? If so, what solution did you find works best? Thanks in advance, Taryn
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Received on Sun Jun 10 2007 - 06:07:41 PDT
