[gmx-users] more questions

[K.A.Feenstra]

David van der Spoel wrote:
> 
> On Tue, 9 Oct 2001, Daan van Aalten wrote:
> >
> >Once the size limit on PRODRG is gone, one should be able to build entire
> >topologies for protein which contain as much of these modifications as you
> >want. Perhaps you can test a small section of your protein (< 100 atoms)
> >with this chromophore in the middle? If it works I'll try to free some
> >time to up the size limit to 10000 or so.
> 
> Obviously most users would really welcome this. Hope your algorithm scales
> reasonably.

And if it really works well, we should consider it as a replacement
for pdb2gmx, maybe for GROMACS 4.0... :) Or maybe, to use it as a
starting point for a complete re-write of pdb2gmx, which we would need
to do at some time anyway... ;)
That is, if Daan also thinks that would be a good idea?


-- 
Groetjes,

Anton
 _____________ _____________________________________________________
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|  _   _  ___,| Anton Feenstra        Dept. of Biophysical Chemistry|
| / \ / \'| | | anton at chem.rug.nl            University of Groningen|
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