Hi all,<br><br>I am doing the umbrella sampling of a ligand pathway (Gromacs4.0.4).Now i want to plot the PMF using WHAM analysis by Alan Grossfield. I installed the WHAM program, read the manual too. But i am confused with the "loc_win_min" and "spring" terms in the metadata file.<br>
<br>Can anyone please explain me these two terms?<br><br>I have the pullx files from 21 umbrella samplings.(I guess this will go as the first term in the meta data file.). <br>Pull_k1 used for Us was 1000.<br><br>Please let me know if you need any other details.<br>
<br>Thanks in advance,<br><br>-Aswathy<br>