[gmx-users] building block-rtp

Anton Feenstra feenstra at chem.vu.nl
Fri Sep 12 08:56:07 CEST 2003


Lakshmi Padmavathi wrote:
> Dear gromacs users,
> 
> i would like make one building block for a abnormal residue (not usual amino 
> acid but has aminoacid properties).
> 
> so,
> i creatred one building block. i inserted in ffgmx.rtp, ffgmx.hdb and in 
> aminoacids.dat.

Do you have a specific reason for using the Gromacs forcefield? It is
generally considered out-dated and the Gromos ff's (ffG43*) are preferred.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
|             | "If You See Me Getting High, Knock Me Down"           |
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