[gmx-users] Morse bond and G96 Angle using x2top?

David van der Spoel spoel at xray.bmc.uu.se
Mon Aug 15 16:27:26 CEST 2005

On Mon, 2005-08-15 at 10:13 -0400, Bob Johnson wrote:
> Hello everyone,
> I was just wondering if there was a way to use the Morse bond and G96 angle
> potentials when generating a topology using x2top. Of course they can be
> manually entered in the topology file but it would be nice if there was an
> x2top option for these potentials.
you can convert bond to Morse potentials using a mdp option

> Thanks,
> Bob Johnson
> Department of Physics and Astronomy
> University of Pennsylvania
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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