Dears,<div><br></div><div>It's more than years that I don't use GMX on regular basis so my memory is leaking here.</div><div><br></div><div>Is there a recommendation that once using conjugate or bfgs for minimisation then one have to set "constraints = all-bonds" in the mdp file?</div>
<div>And if using steep then one have to set "constraints = none"?</div><div><br></div><div>I just don't remember where I saw something like this. Any comment here would be very appreciate.</div><div><br></div>
<div>Many thanks in advance,</div><div><br></div><div>Alan<br clear="all"><br>-- <br>Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate<br>Department of Biochemistry, University of Cambridge.<br>80 Tennis Court Road, Cambridge CB2 1GA, UK.<br>
>><a href="http://www.bio.cam.ac.uk/~awd28">http://www.bio.cam.ac.uk/~awd28</a><<
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