[gmx-users] re:Membrane Peptide+ DPPC+ Water simulation

[John Simms]

Hi,
Whoops forgot about this bit. All that I did here was to copy the RB
parameters from ffgmxbon.itp and pasted these values into the bon file for
the forcefield (ie ffG43a2xbon.itp). This is below, so cut and paste this at
the bottom of you ffG43a2xbon.itp file and see how you get on. I think this
was right, but if things go wrong.... ;-). I think that was it, but if there
are more errors just post them up again.

;from ffG43a2x,itp
[ dihedraltypes ]
LP2 LP2    3     9.2789   12.156  -13.120 -3.0597 26.240 -31.495
LH2 LH2    3     9.2789   12.156  -13.120 -3.0597 26.240 -31.495
LCH2 LCH2  3     9.2789   12.156  -13.120 -3.0597 26.240 -31.495

Cheers
John