[gmx-users] extract initial structure from tpr

David van der Spoel spoel at xray.bmc.uu.se
Tue Mar 13 11:15:31 CET 2007

Martin Höfling wrote:
> Hi there,
> is there a way, i overlooked to get an pdb from a tpr run input? 
> One can dump it via gmxdump and a trajectory frame can converted to a pdb via 
> trjconv, if the tpb is provided.
> The reason why I am not just taking the first frame is, that i need to restore 
> a huge ammount of data from archive, if I do so.
> Cheers
> 	Martin

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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