[gmx-users] writing ff parameters as a text file

Bala subramanian bala.biophysics at gmail.com
Mon Apr 23 17:36:08 CEST 2012


Friends,
I have created the top (attached) file for a tripeptide using pdb2gmx tool
of gromacs. However in the top file, i dnt see the pdb2gmx writing the ff
parameters.

I guess that the ff parameters are read directly from the ff.itp given in
the given as  #include "amber03.ff/forcefield.itp". Is there any way/tool
with which i can write these parameters in a separate file.

Thanks,
Bala

-- 
C. Balasubramanian
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