[gmx-users] prodrg
David
spoel at xray.bmc.uu.se
Wed Jan 7 23:37:00 CET 2004
On Wed, 2004-01-07 at 23:28, Osmany Guirola Cruz wrote:
> i use the PRODRG server for obtain the gromacs files for my LPS an it
> give a zipped files. with
> DRGFIN.GRO and DRGGMX.ITP how i use these files to do my em , pr, md
> simulations the grompp day that topol.top does not exist and is logic
> what should i do whith the itp file
>
>
chapter 5 in the manual describes it. also the tutorial might be
helpful...
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--
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. 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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