This depends on your forcefield. Look in ffnonbonded.itp for your forcefield to see if the hydrogens have nonzero terms. Also make sure your hydrogens have charges assigned to them in your topology if you want electrostatic interactions to be calculated.
On 2012-03-14 09:20:28PM -0500, bo.shuang wrote: > Hi, all, > > Does hydrogen hydrogen non-bond interactions be calculated in the > simulation? It looks to me this kind of non-bond interaction is ignored. If > not, is there a way to let it count h-h interaction? Thank you! > > Bo > -- > 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 -- ================================================================== Peter C. Lai | University of Alabama-Birmingham Programmer/Analyst | KAUL 752A Genetics, Div. of Research | 705 South 20th Street [email protected] | Birmingham AL 35294-4461 (205) 690-0808 | ================================================================== -- 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
