[gmx-users] Re: converting pdb to gmx successfully
David van der Spoel
spoel at xray.bmc.uu.se
Tue Feb 7 09:21:09 CET 2006
Rongliang Wu wrote:
> Hello gmx-users,
> since it is rather complicated and easy to make mistakes during changing the files,
why not add more residues and common molecules to the residue database
in the distributed versions?
What you are saying is: it is better that someone else does the shitty
work for me...
We simply don't have time to do all that stuff. If something, this would
need to be automated, in the way that PRODRG does it. However the PRODRG
have limited manpower as well and asking them to support any kind of
molecules with any kind of force field is not likely to be met with
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://folding.bmc.uu.se
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