Thanks everyone for the responses. I should have framed my question much more precisely. I am trying to use the template.c code of (gmx_4.0.7) and within this, I want to take care of PBC. To do this, I should be having the knowledge of box dimensions. How can this done?
I also know that the g_energy prints the box vector with the simulation time. But, trjconv -dump also writes the box vectors in the pdb file. Chandan -- Chandan kumar Choudhury NCL, Pune INDIA On Thu, Dec 8, 2011 at 3:33 AM, Mark Abraham <[email protected]>wrote: > On 8/12/2011 4:36 AM, Chandan Choudhury wrote: > >> >> Dear gmx_users, >> >> I am using gmx_4.0.7. I need to print the box vectors from the trajectory >> of a simulated system. How can this be achieved? Can someone help me out? >> > > g_energy on the .edr file (assuming that the vectors actually vary). > > Mark > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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<http://www.gromacs.org/Support/Mailing_Lists> >
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