<br>HI<br>g_chi is designed to help user to calculate the dihedral angles.<br><br>I have an organic compound and as the manual describes that .gro , .trr and ssdump.dat are the required input files to compute and collect the dihedral angles with time.<br>
<br><br>For my case, .gro and .trr files are ready. <br>How to prepare for ssdump.dat?<br><br><br>Also, how do i tell gromacs the calculate the specific dihedral angles with time for me??<br>I did not fully understand the manual's description.<br>
<br>thank you<br><br>Lin<br><br><br>