Re: [gmx-users] FWSpider Tutorial

Hi Nayef, the next may be useful from technical point of view. if you add the option -p with topology file as an argument to given genion options you don't have to edit the topology file by hand. for example genion –s fws_em.tpr –o fws_ion.gro –nname CL- –nn 2 –g fws_ion.log -p fws.top -pname

[gmx-users] potential calculation

Dear all, is there a way to calculate patencial energy at a user defined point in a simulation box. Thanks, Peicho.-- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting!