[gmx-users] which files to correct?

[David van der Spoel]

On Tue, 2005-08-02 at 10:36 +0200, Magnus Andersson wrote:
> Hi again,
> 
> got a bit confused about which files to correct when adding an ion to FF
> GROMOS96? I have the following files :
> 
> ffG43a1.itp
> ffG43a1.rtp
- nothing

> ffG43a1bon.itp
- if there are bonds to the molecule things like bond lengths angles
etc. should be added here
> ffG43a1nb.itp
- add nonbonded parameters here, check comparable force field data
> ions.itp
- new definition for a molecular ion if necessary
> vdwradii.dat
- nothing impoartant
> ffG43a1.hdb
- nothing
> 
> Which files shall I make corrections in and, if possible :), how?
> 
> Greetings & thanks for earlier replies which helped a lot / Magnus Andersson
> 
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-- 
David.
________________________________________________________________________
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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