[gmx-users] radial distribution function gAB (r, theta)

Gromacs manual explains "radial distribution function gAB (r, theta)" but g_rdf donot have options to directly do this. Can anyone elaborate this. -- Best regards Neshatul Haque PhD, Dpt of Biotechnology university of hyderabad -- gmx-users mailing listgmx-users@gromacs.org http://lists.gro

[gmx-users] radial distribution function gAB (r, θ)

Gromacs manual explains "radial distribution function gAB (r, θ)" but g_rdf donot have options to directly do this. Can anyone elaborate this. -- Best regards Neshatul Haque PhD, Dpt of Biotechnology university of hyderabad -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.o

[gmx-users] nvt T coupling group problem

Hello everyone I have a protein with covalently attached prosthetic group. Now while trying use thermostat I grouped the protein and prosthetic group though an index file as"Protein_pro" my Tc group is as"tc-grps= Protein_pro Non-Protein" Now issuing the grompp for nvt step, following error