On 27 Jan 2015, at 09:01, mah maz <mahma...@gmail.com<mailto:mahma...@gmail.com>> wrote:
Justin, The problem is I have so many atoms in the system. As I said the best format for reading data is to be like this: time x1 y1 z1 x2 y2 z2 ....... xn yn zn 0 1 2 3 2 3 4 8 5 6 0.1 0.2 ... as you know the trajectory format is like this: (t=)0 x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4....... x5 y5 z5 ......... x4000 y4000 z4000 (t=)0.1 x1 y1 z1 x2 y2 z2.............. x5 y5 z5 ....... x4000 y4000 z40000 completely difficult and confusing for me and the program both! So if I get this right you want to change the spacing between xn yn zn and xn+1 yn+1 zn+1. It will take you 5 min to write a python script to do that. And I can’t see why the current output format would be “confusing” for a program. Kind regards, Erik Erik Marklund, PhD Postdoctoral Research Fellow, Fulford JRF Department of Chemistry Physical & Theoretical Chemistry Laboratory University of Oxford South Parks Road Oxford OX1 3QZ -- 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 gmx-users-requ...@gromacs.org.
