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Hello, <br><br>I would like to restrain my molecule to a specific position in space. I would like for certain atoms to lie on the y-axis. To do this I used the following code/lines in my .top file: <br><br>[ position restraints ]<br>2 1 1000 0 1000 ; <br>3 1 1000 0 1000 ;<br>4 1 1000 0 1000 ;<br>5 1 1000 0 1000 ;<br>6 1 1000 0 1000 ;<br>7 1 1000 0 1000 ;<br>8 1 1000 0 1000 ;<br>9 1 1000 0 1000 ;<br><br>Unfortunately, after minimization my file contained the molecule in the same position as when the restraints were not applied. <br><br>Does anyone know what I am doing wrong? <br><br>Thanks in advance,<br>Abdullah<br> <br /><hr />Your E-mail and More On-the-Go. Get Windows Live Hotmail Free. <a href='https://signup.live.com/signup.aspx?id=60969' target='_new'>Sign up now.</a></body>
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