<HTML><HEAD><META content="text/html; charset=x-user-defined" http-equiv="Content-Type"><style type="text/css"><!--.MailHeader { font-family: "Arial"; font-size: 8pt; color: #000000; font-style: normal; font-weight: normal; text-decoration: none; }//--></style></HEAD><BODY>Hello,<br ><br >I am doing a simulation of melittin molecule in methanol box for 3 ns. I am finding that it is unfolding very rapidly and is behaving more like in water. <br >Melittin behaviour in water, methanol and also in lipids is well documented and known since quite some time. I am using the methanol216.gro provided along with gromacs software. I am using ffG43a3 force field. The density of methanol is around 771.238 g/l. The backbone rmsd shoots up to 0.5nm immediatly after 500 ps which indicates that it is unfolding. I have no clue why it is behaving in this manner. Melittin unfolds in water like this but not in methanol. Can any one tell me where I am going wrong. Any insight in this direction is welcome.<br ><br >Thankyou in advance<br ><br >sharada<br ><br ><br ><br ></BODY></HTML>