[gmx-users] g_rdf problem

Hi, I am using gromacs_4.0.7 to calculate the Scattering Intensity as a function of scattering vectors(q) using g_rdf -sq command . But, I found that there is no way that one can increase/decrease the grid spacing for structure factor calculation. I tried using -bin option , but that does

Re: [gmx-users] g_rdf problem

avinash kumar wrote: Dear all, I am having a problem in running some post analysis commands like g_rdf on my computer . When my simulation is complete I type in the following command to calculate the radial distribution function for the system g_rdf -f traj.trr -s topol.tpr -o rdf.xvg -b 0

[gmx-users] g_rdf problem

Dear all, I am having a problem in running some post analysis commands like g_rdf on my computer . When my simulation is complete I type in the following command to calculate the radial distribution function for the system g_rdf -f traj.trr -s topol.tpr -o rdf.xvg -b 0 -e 20 and the program