You could use a script to do all runs consecutively using one pdb file
at a time. Anyway, if what you have are different conformations of the
same system, the same topology should apply for all of them, so just
need to obtain it once.
Javier
El 16/01/13 12:07, Serdar Durdagi, PhD escribió:
I would like to analyze the different conformations (~1000 structures)
of a protein/protein complex using GROMACS. Can I list all of these
pdb files within a text file when I start the pdb2gmx; i.e., text file
that includes:
0001.pdb
0002.pdb
....
or is there any other ways to handle this problem?
many thanks,
Serdar
--
Javier CEREZO BASTIDA
Ph.D. Student
Physical Chemistry
Universidad de Murcia
30100, Murcia (SPAIN)
T: (0034)868887434
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