AMBER Archive (2003)Subject: extracting structures
From: Venkata S Koppuravuri (kvsuneel_at_linus.bmb.wright.edu)
Date: Wed Mar 26 2003 - 11:16:17 CST
Hi,
I am trying to extract structures from the restart file that i have
obtained after equilibration (using SANDER)
The procedure that i have used is ( i am not sure whether right or wrong)
give the topology and restart files as inputs to ptraj and to output pdb
files
script used is ....
-------
ptraj topologyfile
trajin restartfile
trajout x.pdb pdb
go
-------
The AMBER ptraj program gets executed and it says that it has only one
frame to be visited, but actually i am supposed to have 50 in it. I am not
sure whether the procedure that i have used is right or wrong
can anyone please help me how to get all the structures.
Regards
-Venkat
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