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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