<!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
<html>
<head>
<meta content="text/html;charset=ISO-8859-1" http-equiv="Content-Type">
<title></title>
</head>
<body bgcolor="#ffffff" text="#000000">
Dear Pedro,<br>
<br>
Can be possible of getting one parameter (*.gro, *.itp) file of the
lipids you are using to see what it looks like as well as dynamic mpd
file you use in the NPT simulation, becase im using GROMACS force field
and I would like to change to the new gro96 one.<br>
<br>
Thanks in advance HECTOR<br>
<br>
University of Barcelona<br>
Chemical-Physics department<br>
<br>
<a class="moz-txt-link-abbreviated" href="mailto:paloureiro@biof.ufrj.br">paloureiro@biof.ufrj.br</a> wrote:
<blockquote cite="mid1128524787.4343ebf359fb3@webmail.biof.ufrj.br"
type="cite">
<pre wrap="">Hello Arturas,
</pre>
<blockquote type="cite">
<pre wrap="">However I found that there is a lot of opinions. For example, I did
not found solid criterias on choosing parameters like compresability,
rlist, nstlist, rvdw, etc.
</pre>
</blockquote>
<pre wrap=""><!---->If you use berendsen pressure coupling then an "exact" compressibility value is
not so important (check the manual). However, it is important if you are using
the surface-tension option.
Regarding the other parameters, I suggest you to stick to a consistent
forcefield (like the GROMOS96 45A3, the one I use for simulating lipids). In
that case these options are more or less restricted.
Regards.
Pedro.
_______________________________________________
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>
</body>
</html>