Gromacs is able to load you AMBER trajectory so you don't need to perform any conversion
---------- Messaggio inoltrato ---------- Da: a a <[email protected]> Date: 08 marzo 2012 11:46 Oggetto: RE: [gmx-users] How to input multiple trr files? A: [email protected] Dear Mark, In fact, I was converting the AMBER trajectories to trr format by VMD. However, my VMD is failed to load so large trajectories files. I guess I can convert several trr files into one trr file. Is it possible to be done with GROMACS? If yes, how can I do it? Many thanks, Catherine ------------------------------ From: [email protected] To: [email protected] Date: Thu, 8 Mar 2012 21:36:03 +1100 Subject: Re: [gmx-users] How to input multiple trr files? On 08/03/12, *a a *<[email protected]> wrote: Dear Gromacs experts, I am trying to use the following command: g_covar -s file.pdb -f dynamic.trr -o -v However, since my trr file is too large, I have to separately prepared it into dynamic1.trr dynamic2.trr, dynamic3.trr. Would you mind to instruct how to input several trr files, how to modify the above command line? 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 -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- Cordiali saluti, Dr.Oteri Francesco
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