[gmx-users] PRODRG vs PDB2GMX output generated

David spoel at xray.bmc.uu.se
Thu Jul 15 08:13:54 CEST 2004


On Wed, 2004-07-14 at 22:41, Gary wrote:
> Hi All,
> 
> Should the .gro files generated by PRODRG and pdb2gmx
> be similar?  Also are the .gro files generated by
> PRODRG readable by vmd.  Thanks in advance.
Prodrg generates/minimizes the structure so it need not be the same. For
most programs (including vmd) you can use both gro and pdb files
> 
> -Gary
> 
> 
> 		
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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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