[AMBER-Developers] antechamber ATCOR.dat incomplete

From: Eric Pettersen <pett.cgl.ucsf.edu>
Date: Tue, 11 Dec 2012 14:50:08 -0800

I don't know if I should report problems like this on this list or on the main mailing list, so feel free to let me know if this is the wrong place, but here goes: with the advent of the new atom types in parm10.dat and frcmod.ff99SB, the file for translating standard Amber types to GAFF types (ATCOR.dat) is no longer complete. The missing types are CO, 2C, 3C, C8, and CX.


                        Eric Pettersen
                        UCSF Computer Graphics Lab

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Received on Tue Dec 11 2012 - 15:00:02 PST
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