<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div style="font-family: 'times new roman', 'new york', times, serif; font-size: 12pt; ">Dear Gromacs users,</div><div style="font-family: 'times new roman', 'new york', times, serif; font-size: 12pt; "><br></div><div style="font-family: 'times new roman', 'new york', times, serif; "><span>I want to set up an umbrella sampling simulation of an Hypericin dimer.</span></div><div style="font-family: 'times new roman', 'new york', times, serif; ">I have created <span style="color: rgb(34, 34, 34); font-family: arial, sans-serif; line-height: 16px; ">position restraint files</span><span style="color: rgb(34, 34, 34); font-family: arial, sans-serif; line-height: 16px; "> for hypericin with genrestr and then</span></div><div><font color="#222222" face="arial, sans-serif"><span style="line-height: 16px; ">use it
with the topology file, so I want to know if it is just restraining one of the Hypericin Molecules or both of them?</span></font></div><div><font color="#222222" face="arial, sans-serif"><span style="line-height: 16px; ">If the two molecules are restrained , how can I restrain just one of the Hypericin molecules?</span></font></div><div><font color="#222222" face="arial, sans-serif"><span style="line-height: 16px; ">Thanks in advance</span></font></div><div><font color="#222222" face="arial, sans-serif"><span style="line-height: 16px; ">Hovakim</span></font></div><div style="font-family: 'times new roman', 'new york', times, serif; font-size: 12pt; "><span style="color: rgb(34, 34, 34); font-family: arial, sans-serif; line-height: 16px; font-size: 13px; "><br></span></div><div style="font-family: 'times new roman', 'new york', times, serif; font-size: 12pt; "><span style="color: rgb(34, 34, 34); font-family: arial, sans-serif; line-height:
16px; font-size: 13px; "><br></span></div><div style="font-family: 'times new roman', 'new york', times, serif; font-size: 12pt; "><span style="color: rgb(34, 34, 34); font-family: arial, sans-serif; line-height: 16px; font-size: 13px; "> </span></div></div></body></html>