[gmx-users] Re: Segmentation fault

Hello, I meet a problem, that is "segmentation fault." And this "segmentation fault" comes out when I heat my system, the step "grompp -f heat_water.mdp -c...-n ...-p ...-o ...". The original signs are as follows: processing topology... Opening library file /usr/local/gromacs/share/gromac

[gmx-users] Segmentation fault

Hello, ___ 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! Please don't post (un)subscribe requests to the list. Use the www in

[gmx-users] PME problems

hello: I am now using Gromacs4 to deal with a membrane protein and I am confused on one NOTE. When I use the parameters "rvdw = 0.9 , rlist = 0.9, rcoulomb = 0.9, fourierspacing = 0.12" at the same time, a NOTE will come out, which is "The optimal PME mesh load for parallel simulat