<div dir="ltr">Hi,<div><br></div><div>You can have explicit [constraints] in the topology (see chapter 5 of reference manual), or generate them via the .mdp option constraints = ... (which converts bonds and/or angles to constraints). [settles] are a specific optimization of constraints for water, of course.</div><div><br></div><div>Mark</div></div><br><div class="gmail_quote"><div dir="ltr">On Wed, Nov 25, 2015 at 2:01 PM Vedran Miletić <<a href="mailto:rivanvx@gmail.com">rivanvx@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hello,<br>
<br>
I noticed that bonds are sometimes stored in<br>
top_global->moltype->ilist[F_CONSTR] instead of<br>
top_global->moltype->ilist[F_BONDS], What causes this?<br>
<br>
Regards,<br>
Vedran<br>
<br>
--<br>
Vedran Miletić<br>
<a href="http://vedranmileti.ch/" rel="noreferrer" target="_blank">http://vedranmileti.ch/</a><br>
--<br>
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