[Chimera-users] ff dat file

Eric Pettersen 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.

--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
>> 
>> 
>> 
>> _______________________________________________
>> Chimera-users mailing list
>> Chimera-users at cgl.ucsf.edu
>> http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users
>> 
> _______________________________________________
> Chimera-users mailing list
> Chimera-users at cgl.ucsf.edu
> http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users



 


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20120730/13b7a52d/attachment.html>


More information about the Chimera-users mailing list