<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
<html>
<head>
<meta content="text/html; charset=UTF-8" http-equiv="Content-Type">
</head>
<body text="#000000" bgcolor="#ffffff">
On 22/03/2011 6:28 PM, Kwee Hong wrote:
<blockquote cite="mid:739143.3151.qm@web31406.mail.mud.yahoo.com"
type="cite">
<style type="text/css"><!-- DIV {margin:0px;} --></style>
<div style="font-family: arial,helvetica,sans-serif; font-size:
10pt; color: rgb(0, 0, 0);">
<div>Hi all,</div>
<div><br>
</div>
<div>I've accidentally deleted my mdp and .tpr file.. :(</div>
<div>Is there a way I could check the gen_seed of my simulation
from the .tpr or the output of my simulation as I need the
info to simulate the same system at another temerature?</div>
</div>
</blockquote>
<br>
I don't think gen_seed is saved in the .tpr, but you can see with
gmxdump.<br>
<br>
At a different temperature it generates different velocities anyway,
so I don't think there is value in controlling this variable.<br>
<br>
More importantly, if you're simulating long enough to approach
convergence, the value of gen_seed doesn't matter because the
simulation has converged. If you're not simulating that long, then
it also doesn't matter, in that your results won't be worth much
even if you used the same gen_seed at the same temperature...<br>
<br>
Mark<br>
</body>
</html>