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<blockquote type=cite class=cite cite> Firstly, do Gromos 96 43a2
force field in Gromacs has three dihedral types.If so,what's the
functions of these types?In ffG43a2bond.itp file, I just found only one
force constant. If I hope to use more than one force constant,how can I
fix it?</blockquote><br>
Not 100% sure on the question you are asking.<br><br>
Is it what is the form of the function used to define the
dihedrals? If so, then it is in section 4.2 of the manual (4.2.6
and 4.2.7)<br><br>
Is it where are all the defined dihedral types for the ffG43a2 force
field? If so, then they are in the bonding .itp file. I just
had a quick look in the bonding .itp for ffG43a2 and saw three impropers
(gi_1, gi_2 and gi_3) and then a couple of pages worth of propers
(gd_#).<br><br>
Hope this is of some assistence.<br><br>
Catch ya,<br>
<x-sigsep><p></x-sigsep>
<b>Dr. Dallas Warren<br>
</b><i>Research Fellow<br>
</i>Department of Pharmaceutical Biology and Pharmacology<br>
Victorian College of Pharmacy<br>
Monash University<br>
381 Royal Parade<br>
Parkville VIC 3010<br>
<font color="#0000FF"><u>dallas.warren@vcp.monash.edu.au<br>
</u></font>+61 3 9903 9083</html>