[gmx-developers] building block in rtp file

[David van der Spoel]

On Fri, 2003-09-12 at 09:58, Lakshmi Padmavathi wrote:
> Dear gromacs users,
> 
> i would like to make one building block for a abnormal residue (not usual 
> aminoacid but has aminoacid properties).
> 
> so,i creatred one building block. i inserted in ffgmx.rtp, ffgmx.hdb and in
> aminoacids.dat. i am using ffgmx forcefield ( option "0" of the forcefield)
> 
did you edit the files in the right location?
/usr/local/share etc.

IIRC there is also a hidden option -newrtp which will dump the rtp file
after reading, or you can try to use the -debug option which will print
loads of information to the pdb2gmx.log file.


-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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