Well, I already have the xvg files from others. However I don't know how to use it.
On Thu, Nov 17, 2011 at 10:00 AM, Justin A. Lemkul <[email protected]> wrote: > > > Liu, Liang wrote: > >> Dear all, >> >> I am trying to calculate potentials for RNA structures with a serial of >> tabulated potentials (non-bonded). >> And the only potential I am going to use is the tabulated potentials, and >> the effect from force field should be removed. >> However, when I use pdb2gmx to build the topology file, I have to choose >> a force field. What should I do for that? Thanks. >> >> > It sounds like you need to be constructing your own force field, > completely, from scratch. If you're not looking to use the existing force > fields, this sounds like the only real solution. You can take the time to > make .xvg files for bonded and nonbonded interactions (see the manual), but > that is probably just as much work and your simulations will be much slower. > > -Justin > > -- > ==============================**========== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin> > > ==============================**========== > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before > posting! > Please don't post (un)subscribe requests to the list. Use the www > interface or send it to [email protected]. > Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> > -- Best, Liang Liu
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