[gmx-users] I have questions for tabulated bonded potentials

[Chang Woon Jang]

Dear Gromacs Users,

      From the above question, I think that I need to specify the each
bonded interaction in topol.top file. Am I right?

   For example,


[ bond ]
1  1  2  table_b1.xvg
2  2  3  table_b2.xvg
3  3  4  table_b3.xvg


Is this right format if I have several tabulated potential files in
topol.top?

Thank you.

Best regards,
Changwoon Jang




On Tue, Aug 30, 2016 at 4:31 PM, Chang Woon Jang <changwoonjang at gmail.com>
wrote:

> Dear Gromacs Users,
>
>     I have several bond, angle, dihedral potentials named table_b1.xvg,
> table_b2.xvg, table_b3.xvg ...table_a1.xvg, table_a2.xvg ... table_d1.xvg,
> table_d2.xvg, table_d3.xvg, table_d4.xvg.
>
>     In my system, there are 6 types of beads (A, B, C, D, E, F). How can I
> assign each potential table to specific interactions. For example,
> table_b1.xvg is A-B bond interaction, table_a1.xvg is A-B-A angle
> interactions end so on.
>
>     Thank you.
>
>
> Best regards,
> Changwoon Jang,
>
>