Hi Justin, Thank you for quick answer, but I don't have the .tpr file, Is there any other way?
On Wed, Jun 1, 2011 at 11:13 AM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > Justin A. Lemkul wrote: > >> >> >> Mona Habibi wrote: >> >>> Hi, >>> I have a single file in .gro format and I want to change it to pqr >>> format. >>> I was wondering if there is anyway to make it? >>> I tried to write the file with exactly the same format of pqr , but VMD >>> can not read my file. >>> >> >> editconf -mead outputs a .pqr file from an input coordinate (.gro, .pdb, >> etc) file. >> > > ...although in order to write all the necessary information, you would need > a .tpr file. A .gro contains only coordinates, not charges, etc. > > -Justin > > > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- Mona Habibi Ph.D student Biological and Condensed Matter Physics Group, Dept. of Applied Mathematics, the University of Western Ontario, 1151 Richmond St. North, London (ON), Canada N6A 5B7 Email: mhabi...@uwo.ca
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