[gmx-users] bonded interactions as table

Justin A. Lemkul jalemkul at vt.edu
Wed May 16 16:41:38 CEST 2012

On 5/16/12 10:34 AM, mohan maruthi sena wrote:
> Hi all,
>             I have learned from manual that non bonded interactions can be given
> as user defined potential by using tables. If i want to give dihedral term as
> user defined potential keeping rest of the bonded parameters in their usual
> form, how can i do that.

See manual section 4.2.13.  Supplying a suitable table_d*.xvg file, with 
appropriate references to the tabulated function type (discussed in the manual) 
should be what you need.



Justin A. Lemkul, Ph.D.
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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