I have simulations for different peptides in POPC bilayer. I want to calculate pair distribution function (pdf) between negatively charged phosphate residue of POPC and positively charged residues of peptide. Is there any tool available in gromacs for plotting these values?
Secondly, how to calculate the center of mass for a bilayer? Any help is highly appreciated. -- Archana Sonawani-Jagtap Senior Research Fellow, Biomedical Informatics Centre, NIRRH (ICMR), Parel Mumbai, India. 9960791339 -- 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
