Before you go off on a total wild goose chase, I am not aware of any way in which changing the Amber .dat files would affect PDB2PQR, the input for which is a regular PDB file.

--Eric

                        Eric Pettersen
                        UCSF Computer Graphics Lab
                        http://www.cgl.ucsf.edu

On Jul 30, 2012, at 10:41 AM, Conrad Huang wrote:

If you plan to play with Amber stuff, you should be using our daily builds (http://www.cgl.ucsf.edu/chimera/download.html#daily), which has several bug fixes missing from 1.6.

In the daily builds, are in $CHIMERA/bin/amber12/dat/leap/parm.  On Linux and Windows, $CHIMERA is the installation directory/folder for Chimera.  On Mac, $CHIMERA is Chimera.app/Contents/Resources.

Conrad

On 7/28/12 5:37 PM, Nikolay Igorovich Rodionov wrote:
Hi, since I am able to implement various force fields, does that mean
that I have the .dat files of those ff buried somewhere in my chimera
directory?

I want to add my custom ff parameters to PDB2PQR so I need to locate the
.dat files of force fields like Amber12 and Amber99SB.

Thank you,

Nikolay Rodionov



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