[gmx-users] I have questions for tabulated bonded potentials
Chang Woon Jang
changwoonjang at gmail.com
Wed Aug 31 02:11:10 CEST 2016
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?
[ 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
On Tue, Aug 30, 2016 at 4:31 PM, Chang Woon Jang <changwoonjang at gmail.com>
> 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,
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