[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
jalemkul[at]vt.edu | (540) 231-9080
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