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<DIV>I just want to add missing parameters for my molecule in order to get ..gro and top files for example GROMOS96 43a2 force field . How can I add missing parameters ? I didn't find any information about this procedure. I'm waiting for your help.</DIV>
<DIV> </DIV>
<DIV>Thanks in advance</DIV>
<DIV><BR><BR>--- On <B>Wed, 3/11/09, Mark Abraham <I><Mark.Abraham@anu.edu.au></I></B> wrote:<BR></DIV>
<BLOCKQUOTE style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: rgb(16,16,255) 2px solid">From: Mark Abraham <Mark.Abraham@anu.edu.au><BR>Subject: Re: [gmx-users] get a box of 100 molecules<BR>To: "Discussion list for GROMACS users" <gmx-users@gromacs.org><BR>Date: Wednesday, March 11, 2009, 4:58 PM<BR><BR><PRE>Adrien Delmont wrote:
>
>
> ------------------------------------------------------------------------
> *From:* Adrien Delmont <adriendelmont@yahoo.com>
> *To:* jalemkul@vt.edu
> *Sent:* Wednesday, March 11, 2009 6:09:53 PM
> *Subject:* Re: [gmx-users] get a box of 100 molecules
>
> I didn't get gro and top files with any force field in Gromacs. I
basicly want to use oplsaa and GROMOS96 43a2 force field (improved alkane
dihedrals) . I think I should add all the parameters but how can I add my
parametes both into oplsaa and GROMOS96 43a2 force field ?
You can't just mix force fields. See
http://wiki.gromacs.org/index.php/force_field
Mark
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