For sure, this wouldn't happened if the information to run all the Gromacs features were clearly explained in the place where should be: the manual. Next time save some words and use your time to do a better documentation job... unless you're trying to have some advantage... Cheers!
2012/5/5 Mark Abraham <mark.abra...@anu.edu.au>: > On 5/05/2012 11:39 PM, Marcelo Lopez wrote: >> >> Hi, all, I'm still confused about how to set up 1-4 interaction tables >> for tabulated non-bonding potentials when using the -tablep option in >> mdrun. >> The specific question is: >> >> How must I specify the 1-4 interaction in those tables? How many >> columns and with what? > > > I suggested places to look for this information in answer to this question > more than a week ago. > http://lists.gromacs.org/pipermail/gmx-users/2012-April/070856.html Your > reply addressed only another part of the discussion. Why are you asking the > same question again without appearing to have used the help you've been > given? > > >> My primary goal is to set all the 1-4 interactions equal to zero. I >> have some 1-4 pairs that aren't involved in dihedrals, that means that >> setting up >> >> nrexcl = 3 >> >> and >> >> gen-pairs = no >> >> isn't enough > > > In what sense? I suggested in that thread that you look at the contents of > the .log files to see if any Coulomb 1-4 interactions exist, but you've not > replied. Bald assertions that something doesn't work are likely to get > people who might help to assume that the most likely explanation is that > you're doing something wrong. > > Mark > > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
