[gmx-users] extract initial structure from tpr
martin.hoefling at gmx.de
Tue Mar 13 09:34:53 CET 2007
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.
Liberty is always dangerous, but it is the safest thing we have. (Harry
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