Hi Dilip, I think the next version of Gromacs will have some Python bindings.
Until then you can use MDAnalysis http://mdanalysis.org : It reads GRO files (as well as XTC, TRR, and TPR, … and many other formats) and loads it into a numpy array. (If you have questions regarding MDAnalysis please ask on the MDAnanlysis user mailing http://users.mdanalysis.org list instead of the Gromacs list.) Best wishes, Oliver (disclosure: I am one of the core developers of MDAnalysis) > On 27 Apr, 2017, at 09:46, Dilip H N <[email protected]> wrote: > > Hello, > > I want to write a python program to read a .gro file in gromacs.. How can i > write the program / code to read the .gro file... > > I need to write a python programm to read the .gro file and write as it > is.. can anybody help me regarding this... > > Thank you.. > > -- > With Best Regards, > > DILIP.H.N > Ph.D Student > -- Oliver Beckstein, DPhil * [email protected] http://becksteinlab.physics.asu.edu/ Assistant Professor of Physics Arizona State University Center for Biological Physics and Department of Physics Tempe, AZ 85287-1504 USA Office: PSF 348 Phone: +1 (480) 727-9765 FAX: +1 (480) 965-4669 Department of Physics: https://physics.asu.edu/content/oliver-beckstein Center for Biological Physics: https://cbp.asu.edu/content/oliver-beckstein -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
