[Chimera-users] ff dat file
pett at cgl.ucsf.edu
Mon Jul 30 11:08:35 PDT 2012
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.
UCSF Computer Graphics Lab
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.
> 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
>> 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
>> Chimera-users mailing list
>> Chimera-users at cgl.ucsf.edu
> Chimera-users mailing list
> Chimera-users at cgl.ucsf.edu
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