[gmx-users] How to input multiple trr files?

Mark Abraham mark.abraham at anu.edu.au
Thu Mar 8 11:36:03 CET 2012


On 08/03/12, a a <patd_2 at hotmail.com> wrote:

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> Dear Gromacs experts,  
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> I am trying to use the following command:   
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> g_covar -s file.pdb -f dynamic.trr -o -v
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> However, since my trr file is too large, I have to separately prepared it into dynamic1.trr dynamic2.trr, dynamic3.trr.
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> Would you mind to instruct how to input several trr files, how to modify the above command line?
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This is not possible. Input to all GROMACS tools must be in one file, with rare exceptions for algorithms that do the same thing on several files. Either you need a filesystem capable of dealing with the large file, or follow the advice here http://www.gromacs.org/Documentation/How-tos/Reducing_Trajectory_Storage_Volume
 
Mark 
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