I am using 4.5.5...Is it OK?
2013/2/26 Justin Lemkul <[email protected]> > > > On 2/26/13 11:47 AM, francesco oteri wrote: > >> Thank you Justin, >> I added >> rlistlong = 1.4 >> >> but still grompp complains: >> NOTE 1 [file 02md.mdp]: >> For energy conservation with switch/shift potentials, rlist should be >> 0.1 >> to 0.3 nm larger than rvdw. >> >> Why doesn't grompp looks for rlistlong value? >> >> > There was a problem with an older version of Gromacs (I can't remember > which) where grompp ignored rlistlong. It has no implication for mdrun and > is solved by using the newest version. > > > -Justin > > -- > ==============================**========== > > Justin A. Lemkul, Ph.D. > Research Scientist > 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> > -- Cordiali saluti, Dr.Oteri Francesco -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at 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
