[gmx-users] bonded interactions as table

[Justin A. Lemkul]

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

-- 
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Justin A. Lemkul, Ph.D.
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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