[gmx-users] missing parameters

David van der Spoel spoel at xray.bmc.uu.se
Fri Jun 11 11:48:28 CEST 2004

On Fri, 2004-06-11 at 11:18, herbst at fhi-berlin.mpg.de wrote:
> Hello,
> I created a topology file for a protein using the gromacs forcefield. The
> topology was ok but in the lists of bonds, angles etc. there are no
> parameters.  Only the parameters for a residue which I had entered to the
> .rtp file myself appeared. What did I do wrong ?
most parameters are in library files.
ffXXXnb.itp ffXXXbon.itp.

grompp will tell you when parameters are missing.
> All other residues are standard amino acids.
> Thanks,
> Anna
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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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