[gmx-users] Elastic network model

Bogdan Costescu bcostescu at gmail.com
Fri Aug 31 22:23:26 CEST 2012

On Fri, Aug 31, 2012 at 8:42 PM, mohan maruthi sena
<maruthi.sena at gmail.com> wrote:
>  Hi all,
>              I have built topology for elastic network as follows(the
> atoms which fall with in a distance less than 6 angtroms are bonded).
> [bonds]
> ;ai    aj   funct               bo     kb
> 2       1       1       3.80444752888   61.9

Less than 6 Angstrom ??? You need to read the topology chapter of the
manual again. And then again. It will save you lots of time later.
Hint: some units are wrong.

Good luck!

More information about the gromacs.org_gmx-users mailing list