<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>Dear justin , i regret inconvenience in the previous mail <br></div><div>Instead of taking PDB based on g_dist over all frames Can i choose various .gro files for doing umbrella sampling based on the pullf.xvg . file <br></div><div>In that file plot of force Vs time is available. i am selecting the PDBs from near maxima of force time profile curve to time of major structural change .</div><div>in my case Example ( 120ps to 380ps) <br></div><div> can i use those PDBs for Umbrella sampling othewise should i not consider time for umbrella sampling?<br></div><div>I am expecting your valuable reply<br></div><div>Thanks in Advance </div></div></body></html>