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

Dear Justin Lemkul, I got it. Thank you very much for your help. Best regards, Changwoon Jang On Tue, Aug 30, 2016 at 8:40 PM, Chang Woon Jang wrote: > Dear Justin, > > >Do you mean "Order of parameters"? If I would like to specify for > table_b1.xvg, I need to

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

Dear Justin, Do you mean "Order of parameters"? If I would like to specify for table_b1.xvg, I need to set 1 after 8. If I would like to specifiy for table_b2.xvg, I need to set 2 after 8. Am I right? Best regards, Changwoon Jang On Tue, Aug 30, 2016 at 8:35 PM, Chang Woon Jang

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

On 8/30/16 8:35 PM, Chang Woon Jang wrote: Dear Justin Lemkul, I have seen the 4.2.12 and Table 5.5. However, it does not show the specific example for several tabulated potentials in topol.top file. I created table_b1.xvg, table_b2.xvg ... table_b5.xvg, table_a1.xvg, table_a2.xvg ...

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

Dear Justin Lemkul, I have seen the 4.2.12 and Table 5.5. However, it does not show the specific example for several tabulated potentials in topol.top file. I created table_b1.xvg, table_b2.xvg ... table_b5.xvg, table_a1.xvg, table_a2.xvg ... table_a6.xvg, table_d1.xvg table_d4.xvg.

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

On 8/30/16 8:11 PM, Chang Woon Jang wrote: 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

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

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

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

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