<html>
<head>
<style>
.hmmessage P
{
margin:0px;
padding:0px
}
body.hmmessage
{
FONT-SIZE: 10pt;
FONT-FAMILY:Tahoma
}
</style>
</head>
<body class='hmmessage'>
ack Off! I just backed up step42.pdb to ./#step42.pdb.3#<br><br>Back Off! I just backed up step43.pdb to ./#step43.pdb.1#<br>Wrote pdb files with previous and current coordinates<br>Step= 43, Dmax= 2.7e-01 nm, Epot= -1.73254e+22 Fmax= inf, atom= 211<br>-------------------------------------------------------<br>Program mdrun, VERSION 3.3.1<br>Source code file: nsgrid.c, line: 226<br><br>Range checking error:<br>Explanation: During neighborsearching, we assign each particle to a grid<br>based on its coordinates. If your system contains collisions or parameter<br>errors that give particles very high velocities you might end up with some<br>coordinates being +-Infinity or NaN (not-a-number). Obviously, we cannot<br>put these on a grid, so this is usually where we detect those errors.<br>Make sure your system is properly energy-minimized and that the potential<br>energy seems reasonable before trying again.<br><br>Variable ci has value -2147483648. It should have been within [ 0 .. 729 ]<br>Please report this to the mailing list (gmx-users@gromacs.org) or ricardogobato@hotmail.com<br><br><br><br>How make for minimization energy ?<br>Please anyone help me.<br><br><br><br><br /><hr />Receba GRÁTIS as mensagens do Messenger no seu celular quando você estiver offline. Conheça o MSN Mobile! <a href='http://mobile.live.com/signup/signup2.aspx?lc=pt-br' target='_new'>Cadastre-se já!</a></body>
</html>