I've found that information in ffbonded.itp but I'm not sure about exactly meaning of some types.<br><br><br>E.g I'm looking for bond type for simple double bond between C=C as well as C=N ( here both atoms in 5-m ring) atoms pairs. Should I use for the first one<br>
#define gb_15 0.1390 8.6600e+06<br>; CH2 - C, CR1 (6-ring) 800 <br><br> and for the second one ;<br><br>#define gb_11 0.1340 1.0500e+07<br>; C - N, NZ, NE 900 <br>?<br><br>Thanks for help<br>
<br>James<br><br><div class="gmail_quote">2012/6/8 Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au" target="_blank">Mark.Abraham@anu.edu.au</a>></span><br><blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div class="im">On 9/06/2012 12:00 AM, James Starlight wrote:<br>
<blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
Dear Gromacs Users!<br>
<br>
<br>
I'm looking for description of the parameters of bonds terms ( termed as the gb_# in the topology.top file) . Could you tell me where I could find such descriptions for all possible bond types ?<br>
</blockquote>
<br></div>
See manual for literature references for the force field components.<span class="HOEnZb"><font color="#888888"><br>
<br>
Mark<br>
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