<!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
<html>
<head>
<meta http-equiv="Content-Type" content="text/html;charset=ISO-8859-1">
<title></title>
</head>
<body>
David van der Spoel wrote:<br>
<blockquote type="cite" cite="mid1048280000.3602.8.camel@matisse">
<pre wrap="">On Fri, 2003-03-21 at 15:42, Alexandre Suman de Araujo wrote:
</pre>
<blockquote type="cite">
<pre wrap="">David van der Spoel wrote:
</pre>
<blockquote type="cite">
<pre wrap="">On Fri, 2003-03-21 at 15:18, Alexandre Suman de Araujo wrote: David
wrote:
Then I don't need to have [bonds] and [angles] session and I can erase
them from the file??? Or the information from ffoplsaa.* files will
overwrite the information in the topology file???
The definition of the atomtypes that you are talking is what I showed in
my first msg, didn't it???
This possible dihedrals I think was specified automatically by PRODRG...
but I'll check them again
Yes you do need all that. You got that from prodrg didn't you?
Thanks for your answer.
</pre>
</blockquote>
<pre wrap="">Yes... I got from PRODRG and changed the atomtypes from ffgmx to
ffoplsaa. I didn't understand if I can keep the [bonds] and [angles]
sessions, created by PRODRG and with different values for oplsaa(they
are correct to ffgmx, of course), in my topology file them gromacs
overwrite their values for the correct ones or if I need to erase them
and gromacs will get the values from ffoplsaa.* file???
</pre>
</blockquote>
<pre wrap=""><!---->you need the defintions of bonds etc.
[ bonds ]
1 2
2 3
3 4
more than that you don't need.
</pre>
<blockquote type="cite">
<pre wrap="">Thankyou very much for the help.
--
Alexandre Suman de Araujo
<a class="moz-txt-link-abbreviated" href="mailto:asaraujo@if.sc.usp.br">asaraujo@if.sc.usp.br</a>
UIN: 6194055
IFSC - USP - São Carlos - Brasil
_______________________________________________
gmx-users mailing list
<a class="moz-txt-link-abbreviated" href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a>
<a class="moz-txt-link-freetext" href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users</a>
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to <a class="moz-txt-link-abbreviated" href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.
</pre>
</blockquote>
</blockquote>
Now its clear!!!!! Thank you very much David!!!!!!!<br>
<br>
[]'s<br>
<br>
<pre class="moz-signature" cols="72">--
Alexandre Suman de Araujo
<a class="moz-txt-link-abbreviated" href="mailto:asaraujo@if.sc.usp.br">asaraujo@if.sc.usp.br</a>
UIN: 6194055
IFSC - USP - São Carlos - Brasil</pre>
</body>
</html>